[gmx-users] Error while doing EM in DMSO.

2007-05-16 Thread Anil Kumar
Dear Users, First of all thank you Mark, yes you are right. it was problem of force field and topoloy file mismatch. I have made changes in the ffG43a1 residue toplogy file for DMSO., but still getting the same error. Please let me know if i am doing some mistake. ***changes

Re: [gmx-users] Error while doing EM in DMSO.

2007-05-16 Thread David van der Spoel
Anil Kumar wrote: Dear Users, First of all thank you Mark, yes you are right. it was problem of force field and topoloy file mismatch. I have made changes in the ffG43a1 residue toplogy file for DMSO., but still getting the same error. Please let me know if i am doing some mistake. If the