Hi everybody, I want to do a md run. But I have a problem. I have additional residues which are not in the aminoacid.rtp file. I already read the site about "Adding a Residue to a Force Field". But the problem is that I am not allowed to change anything at the topology files on the server I want to run the job. I have to run it on this server because on my computer it would take way to long.
So is there another possibility to add the new residues to the topology or offer them to gromacs. Or can I do all the preparing steps until the md run local on my computer where I already changed the topologies so that all the input files which aare produced by grompp and are needed by the md-run are already there. Thank you for your help, Eva -- 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
