Search found 3 matches
- Thu Feb 26, 2015 2:55 pm
- Forum: OpenMM
- Topic: 4 letter residues names parsed as first 3 letters
- Replies: 1
- Views: 353
4 letter residues names parsed as first 3 letters
The pdb writer module for OpenMM seems not to write the fourth character for residue names that come in four characters. The input files for my studies are in gromacs file formats. For example for mixed lipids DOPE and DOPG are all read in but are written as the same residue name DOP. Have you notic...
- Fri Mar 22, 2013 2:59 pm
- Forum: OpenMM
- Topic: OpenMM 5.0 with Gromacs 4.6.1
- Replies: 0
- Views: 259
OpenMM 5.0 with Gromacs 4.6.1
Has anyone recently compiled the mdrun-openmm using gromacs 4.6.1 and openmm 5.0 on linux? It seems that gromacs is sort of deprecating support for openmm.
Any guidelines, recently tested and verified to get gromacs 4.6.1 compiled with openmm 5. is welcomed. Thanks.
Any guidelines, recently tested and verified to get gromacs 4.6.1 compiled with openmm 5. is welcomed. Thanks.
- Tue Jan 17, 2012 9:53 am
- Forum: OpenMM
- Topic: mulit gpu support
- Replies: 2
- Views: 395
mulit gpu support
1) Is multi gpu support (i.e. using 2 or more gpus within a node) present in Openmm 4.0?
1a) If so can it be used with Gromacs.
2) If not (i.e. not present in 4.0 release) do you plan to include support for it sometime soon?
1a) If so can it be used with Gromacs.
2) If not (i.e. not present in 4.0 release) do you plan to include support for it sometime soon?