----- Original Message ----- From: Gene Polovy <[email protected]> Date: Saturday, May 22, 2010 8:37 Subject: [gmx-users] specifying interaction energy between residues To: [email protected]
> Hi There, > > I'm trying to run a course grained (c alpha) simulation of a Letting us know more about what kind of coarse-grained model you're trying to modify would be useful. > protein and I'd like to know how/where I can define > heterogeneous native interaction energies between residues. Is > it under [ pairs ] in the topology file? In other words, I'd > like to use a flavored model rather than a vanilla model. Please help! Ah, but we're not sure what your vanilla model is, so it's hard to advise... Mark -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
