[gmx-users] Question regarding compatibility of UFF and GROMACS

[Yang Ye]

gromacs manual has the answer (FF terms) for you.

Subhashis Biswas wrote:
> Hi,
>
> I know this issue has been discussed in some form before, but hough 
> may be I resurface it again. Is it possible to transfer a UFF 
> forcefield to a GROMACS forcefield with help of a script? UFF 
> force-field cannot be used in GROMACS as per my understanding, and I 
> renamed the FF types of an UFF based small peptide to GROMACS by hand, 
> but I am afraid this will take for ever in longer systems.
> Also if someone can highlight upon what is the basic difference in UFF 
> type forcefields and GROMACS (parameter or potential function-wise) 
> that would be great.
>
> Thanks so much for your help.
>
> regards,
> Subhashis
>
>
> Subhashis Biswas
> Post-doctoral Research Associate
> Department of Energy, Environment & Chemical Engineering
> Washington University in St Louis
> 1 Brookings Drive, Mail Stop 1180
> St Louis, MO 63130
> biswass at seas.wustl.edu
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.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 thewww 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>