Dear Tom, I know that there were some ATP-related issues in past versions of gromacs using the gromos-ff: Gromos used some 5-letter atom types which was a problem as the pdb file format only has 4 columns for them so you had to do some renaming. I thought this not to be an issue anymore and am surprised by your solution- but very, very happy that it works :)
So thank you very much for your help, Alex -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
