If the GROMOS force-field would clearly not be compatible with GROMACS, we would have removed it from the GROMACS distribution. There are two issues here, which both stem from the fact that the GROMOS force-field has been parametrized with a simulation setup that, for good reasons, can not be reproduced in GROMACS. One is that certain properties, such a densities of liquids can be off by a small amount. The other is that certain people in the GROMOS community have claimed that the GROMOS force-field is used incorrectly in GROMACS. Note that other people in GROMOS community seem to think differently. I do not want to go into that discussion here. But to avoid users blaming GROMACS, we have added a warning in grompp.
/Berk ________________________________ From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Bratin Kumar Das <177cy500.bra...@nitk.edu.in> Sent: Tuesday, February 18, 2020 7:31 AM To: gmx-us...@gromacs.org <gmx-us...@gromacs.org>; myun...@pknu.ac.kr <myun...@pknu.ac.kr> Subject: Re: [gmx-users] Is Gromos force fields not recommended? It is not like that...gromos is not compatible with gromacs... decission need to be taken depending on what system you want to simulate and what you are expecting from the simulation. On Tue 18 Feb, 2020, 6:27 AM Myunggi Yi, <myun...@pukyong.ac.kr> wrote: > Dear users, > > As the same as the title, > > Are Gromos force fields not recommended in Gromacs? > -- > 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. > -- 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. -- 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.
