[gmx-users] charge correction in topology file from PRODRG

XAvier Periole x.periole at rug.nl
Sun Dec 8 12:19:14 CET 2013

For gromos ff you can also use the ATB server. From Alan Mark on Brisbane. It combine typography and non-bonded parameters all at once. 

It is not perfect but pretty good. 

> On Dec 8, 2013, at 8:27, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com> wrote:
> hi all my friends
> I use PRODRG and antechmber for building topology and coordinate files for my ligand separately.
> i want to use GROMOS force field so i must to use the topology from PRODRG server. can i use the topology of antechamber for charge correction in topology fiel from PRODRG .
> In general, are special principlesessential for charge correction in topology file from PRODRG 
>  thanks for your help
> -- 
> 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-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list