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THIS FORUM IS MOVING TO GITHUB!

Last post by Peter Eastman « Mon Feb 24, 2025 3:55 pm

by Peter Eastman » Mon Feb 24, 2025 3:55 pm

0 Replies

260 Views

Last post by Peter Eastman
Mon Feb 24, 2025 3:55 pm
Help Needed with Drude Modeling for Molten Salts in OpenMM

Last post by Marcelo D Poleto « Wed Feb 19, 2025 7:58 am
Replies: 5
by Hanul Kim » Wed Jan 29, 2025 9:58 am

5 Replies

273 Views

Last post by Marcelo D Poleto
Wed Feb 19, 2025 7:58 am
Combining AMD integrator with Langevin integrator

Last post by balaka mondal « Thu Feb 13, 2025 1:01 pm
Replies: 2
by balaka mondal » Thu Feb 13, 2025 11:23 am

2 Replies

120 Views

Last post by balaka mondal
Thu Feb 13, 2025 1:01 pm
Cannot insert molecule

Last post by Peter Eastman « Wed Feb 05, 2025 10:23 am
Replies: 1
by Emmanouil Orfanakis » Wed Feb 05, 2025 10:11 am

1 Replies

122 Views

Last post by Peter Eastman
Wed Feb 05, 2025 10:23 am
Temperature dependent potentials in simulated tempering

Last post by balaka mondal « Tue Feb 04, 2025 8:35 pm
Replies: 2
by balaka mondal » Tue Feb 04, 2025 10:58 am

2 Replies

171 Views

Last post by balaka mondal
Tue Feb 04, 2025 8:35 pm
Cannot compile HelloArgon.cpp on Centos, Openmm succesfully installed

Last post by Ivan Ivanov « Thu Jan 30, 2025 5:42 am
Replies: 1
by Ivan Ivanov » Thu Jan 30, 2025 5:30 am

1 Replies

100 Views

Last post by Ivan Ivanov
Thu Jan 30, 2025 5:42 am
Meaning of "atom block" in platform code

Last post by Peter Eastman « Sat Jan 25, 2025 2:58 pm
Replies: 1
by Vance Raiti » Sat Jan 25, 2025 2:09 pm

1 Replies

178 Views

Last post by Peter Eastman
Sat Jan 25, 2025 2:58 pm
Constant pH simulations in OpenMM

Last post by Peter Eastman « Tue Jan 21, 2025 5:26 pm
Replies: 4
by Hassan Nadeem » Wed Oct 16, 2024 9:34 am

4 Replies

1312 Views

Last post by Peter Eastman
Tue Jan 21, 2025 5:26 pm
GAFF dihedrals with negative periodicity

Last post by Randy Zauhar « Fri Jan 17, 2025 12:59 pm
Replies: 5
by Randy Zauhar » Wed Jan 15, 2025 3:16 pm

5 Replies

210 Views

Last post by Randy Zauhar
Fri Jan 17, 2025 12:59 pm
Different Triclinic Box Energies for CUDA vs. CPU

Last post by Eser Ugur « Sun Dec 22, 2024 3:06 pm
Replies: 2
by Eser Ugur » Tue Dec 17, 2024 8:43 am

2 Replies

584 Views

Last post by Eser Ugur
Sun Dec 22, 2024 3:06 pm
OpenMM on heterogeneous hardware?

Last post by Hoa Thanh Le « Thu Dec 19, 2024 6:24 am
Replies: 2
by Hoa Thanh Le » Tue Dec 17, 2024 9:29 pm

2 Replies

445 Views

Last post by Hoa Thanh Le
Thu Dec 19, 2024 6:24 am
Analyzing SMD in OpenMM

Last post by Pujan Ajmera « Mon Dec 16, 2024 1:08 pm

by Pujan Ajmera » Mon Dec 16, 2024 1:08 pm

0 Replies

183 Views

Last post by Pujan Ajmera
Mon Dec 16, 2024 1:08 pm
cpython lib.so undefined symbol

Last post by Hoa Thanh Le « Thu Dec 12, 2024 10:43 pm
Replies: 4
by Hoa Thanh Le » Thu Dec 12, 2024 2:24 am

4 Replies

665 Views

Last post by Hoa Thanh Le
Thu Dec 12, 2024 10:43 pm
CUDA Error with a Large Number of Beads when Using the RPMD Integrator

Last post by Ali Eltareb « Mon Dec 09, 2024 5:02 pm

by Ali Eltareb » Mon Dec 09, 2024 5:02 pm

0 Replies

145 Views

Last post by Ali Eltareb
Mon Dec 09, 2024 5:02 pm
About Chain ID Limitation in OpenAWSEM Modeling

Last post by Debby Wang « Wed Dec 04, 2024 11:14 pm
Replies: 6
by Debby Wang » Mon Dec 02, 2024 6:14 am

6 Replies

8676 Views

Last post by Debby Wang
Wed Dec 04, 2024 11:14 pm
RMSD_restraints_NaN_error

Last post by Ben Tan « Tue Dec 03, 2024 10:17 am
Replies: 2
by Ben Tan » Tue Dec 03, 2024 8:23 am

2 Replies

1194 Views

Last post by Ben Tan
Tue Dec 03, 2024 10:17 am
Does the neighbor list update when setPositions is called using C++ API?

Last post by Peter Eastman « Thu Nov 14, 2024 7:05 pm
Replies: 1
by Joseph Lawrence » Thu Nov 14, 2024 7:00 pm

1 Replies

1983 Views

Last post by Peter Eastman
Thu Nov 14, 2024 7:05 pm
Setting up Dual Topology Files for Mutation Alchemical Free Perturbation

Last post by Peter Eastman « Wed Nov 13, 2024 3:37 pm
Replies: 1
by Pujan Ajmera » Tue Nov 12, 2024 11:05 pm

1 Replies

1770 Views

Last post by Peter Eastman
Wed Nov 13, 2024 3:37 pm
Reflective wall to prevent water from penetrating the lipid bilayer

Last post by Ramon Mendoza « Mon Nov 11, 2024 5:19 pm
Replies: 6
by Ramon Mendoza » Mon Nov 11, 2024 1:31 pm

6 Replies

10540 Views

Last post by Ramon Mendoza
Mon Nov 11, 2024 5:19 pm
OpenMM 8.2 release candidate

Last post by Emilio Galllicchio « Wed Oct 30, 2024 6:17 am
Replies: 1
by Peter Eastman » Tue Oct 29, 2024 1:30 pm

1 Replies

1585 Views

Last post by Emilio Galllicchio
Wed Oct 30, 2024 6:17 am
How to introduce mutation/modification

Last post by Pujan Ajmera « Tue Oct 29, 2024 9:00 pm
Replies: 4
by Pujan Ajmera » Mon Oct 28, 2024 8:54 pm

4 Replies

4563 Views

Last post by Pujan Ajmera
Tue Oct 29, 2024 9:00 pm
Crazy segmentation fault (core dumped) for openmm simulation

Last post by Peter Eastman « Mon Oct 28, 2024 8:13 am
Replies: 12
by Ning Wang » Tue Oct 01, 2024 2:39 pm
1

2
12 Replies

12059 Views

Last post by Peter Eastman
Mon Oct 28, 2024 8:13 am
Using ParmEd

Last post by Tej Tarun Sharma « Thu Oct 17, 2024 10:15 pm
Replies: 2
by Tej Tarun Sharma » Fri Oct 11, 2024 7:18 am

2 Replies

1263 Views

Last post by Tej Tarun Sharma
Thu Oct 17, 2024 10:15 pm
Can I get the minimized energy by increasing steps?

Last post by Peter Eastman « Mon Oct 14, 2024 8:15 am
Replies: 9
by Emilson Gomes » Tue Sep 24, 2024 1:15 pm

9 Replies

13565 Views

Last post by Peter Eastman
Mon Oct 14, 2024 8:15 am
Reference for Monte Carlo barostat

Last post by Peter Eastman « Sat Oct 05, 2024 1:12 pm
Replies: 1
by Marcelo D Poleto » Sat Oct 05, 2024 1:01 pm

1 Replies

912 Views

Last post by Peter Eastman
Sat Oct 05, 2024 1:12 pm

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