Search found 4 matches

by Lori Paniak
Wed Jun 10, 2009 4:56 am
Forum: OpenMM
Topic: Trouble getting openMM/Gromacs working
Replies: 11
Views: 2270

RE: Trouble getting openMM/Gromacs working

Maybe it is time to put this installation info into a well-labeled wiki entry...
by Lori Paniak
Fri Feb 13, 2009 9:20 pm
Forum: OpenMM
Topic: Request: sample mdps and starting structures
Replies: 10
Views: 3697

RE: Request: sample mdps and starting structures

<t><br/> I sincerely appreciate that the source code is available on the download page but it does not appear to have been updated in three weeks.<br/> <br/> I am certain your team has made significant improvements to your codebase in that time and testing the tarballed code may well be irrelevant t...
by Lori Paniak
Fri Feb 13, 2009 8:24 pm
Forum: OpenMM
Topic: Request: sample mdps and starting structures
Replies: 10
Views: 3697

RE: Request: sample mdps and starting structures

<r>I dislike editorials, but...<br/> <br/> The project might be helped by opening up svn to public downloads. Given the variety of systems people use (ie. most are not 32-bit Windows), it will be difficult to supply pre-compiled binaries that will work without hiccups. The best way to overcome this ...
by Lori Paniak
Mon Feb 09, 2009 9:06 am
Forum: OpenMM
Topic: Trouble getting openMM/Gromacs working
Replies: 11
Views: 2270

Trouble getting openMM/Gromacs working

<t>Hi, <br/> <br/> I'm having trouble getting the Gromacs preview working on an AMD64 Debian Lenny system with CUDA. Are the libraries/binaries 32-bit? If so, can you provide 64-bit versions?<br/> <br/> I have also tried to compile a modified Gromacs 4.0.3 without luck. It might be useful to provide...