Dear Gromacs users, I am interested to do implicit solvent MD but I find that some atoms (atomtype opls_961-965) in my system does not have parameters in the file gbsa.itp.
Does anyone know the meaning of these columns in the file and the proper way to derive these values? ; atype sar st pi gbr hct Thanks a lot. Corina ----- Thanks. Corina -- View this message in context: http://gromacs.5086.x6.nabble.com/meaning-of-the-parameters-in-gbsa-itp-tp5011964.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
