Dear all. I wonder where the [ implicit_genborn_params ] section should come in the below topol.top file for which the Gromos54a7 force fields are used?
For the Amber and OPLS-FF I notice that all the [ implicit_genborn_params ] parameters are in a gbsa.itp file but that was not the case for Gromos54a7 and even it did not worked when I created a gbsa.itp for for gromos5a7. %-------------TOP----------- #include "/u/alex/.local/gromos54a7.ff/forcefield.itp" ; #include "A.itp" #include "B.itp" #include "C.itp" ; [ system ] A-B-C in implicit water [ molecules ] A 1 B 29 C 14 B 29 C 14 %-------------------------- Thank you Regards, Alex -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
