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