Re: [gmx-users] CHARMM27 hates my DMPC

On 4/4/17 9:39 AM, Vytautas Rakeviius wrote: Thanks, I reused DMPC layers from CHARMM-GUI after some editing. I was able to pin-down issue here, test file: http://www.mediafire.com/file/usuv55c3j505ec2/test.pdb I can do: gmx pdb2gmx -f

Re: [gmx-users] CHARMM27 hates my DMPC

Thanks, I reused DMPC layers from CHARMM-GUI after some editing.I was able to pin-down issue here, test file:http://www.mediafire.com/file/usuv55c3j505ec2/test.pdbI can do:gmx pdb2gmx -f test.pdb -o test.gro -water spce Without error. But if I do:gmx pdb2gmx -f test.pdb -o test.gro -water spce

Re: [gmx-users] CHARMM27 hates my DMPC

On 4/4/17 8:52 AM, Vytautas Rakeviius wrote: Hello, I have my system with DMPC bilayers in pdb and try to convert it into GROMACS input. Because system is with lipids I think chose CHARMM27 ff. But still I get lots of warnings like that: https://pastebin.com/K8dHKkUi Also I add my DMPC pdb

[gmx-users] CHARMM27 hates my DMPC

Hello, I have my system with DMPC bilayers in pdb and try to convert it into GROMACS input. Because system is with lipids I think chose CHARMM27 ff. But still I get lots of warnings like that: https://pastebin.com/K8dHKkUi Also I add my DMPC pdb as example. What should I do? Rename all my DMPC