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

2013-12-08 Thread Mahboobeh Eslami
dear justin thanks for your help On Monday, December 9, 2013 1:44 AM, Justin Lemkul wrote: On 12/8/13 6:18 AM, XAvier Periole wrote: > > 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

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

2013-12-08 Thread Mahboobeh Eslami
dear justin thanks for your help On Monday, December 9, 2013 1:44 AM, Justin Lemkul wrote: On 12/8/13 6:18 AM, XAvier Periole wrote: > > 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

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

2013-12-08 Thread Justin Lemkul
On 12/8/13 6:18 AM, XAvier Periole wrote: 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. For those wondering about some potential implications of topology errors a

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

2013-12-08 Thread XAvier Periole
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 wrote: > > hi all my friends > I use PRODRG and antechmber for building topo

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

2013-12-07 Thread Mahboobeh Eslami
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 gene