On 4/22/13 9:50 AM, Albert wrote:
On 04/22/2013 01:43 PM, Justin Lemkul wrote:
There are several options, all external to Gromacs:
https://www.paramchem.org/
http://www.swissparam.ch/
-Justin
did paramchem support gromacs? As far as I know it only export in CHARMM
format.
If you ha
On 4/22/13 8:32 AM, Dr. Vitaly Chaban wrote:
"a simple way" is x2top
Using g_x2top implies that the charges and atom types that are to be assigned
are already known. If the compound is not parameterized already, g_x2top is
fairly useless in this case.
-Justin
On Mon, Apr 22, 2013 at 1
On 04/22/2013 01:43 PM, Justin Lemkul wrote:
There are several options, all external to Gromacs:
https://www.paramchem.org/
http://www.swissparam.ch/
-Justin
did paramchem support gromacs? As far as I know it only export in CHARMM
format.
Albert
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gmx-users mailing listgmx-users
"a simple way" is x2top
Dr. Vitaly Chaban
On Mon, Apr 22, 2013 at 1:38 PM, aixintiankong wrote:
> Dear ,
> I want to use charmm force field to simulate the protein and ligand
> system. The protein can selcet charmm27 in gromacs, but i don't konw how to
> get the charmm force field for the
On 4/22/13 7:38 AM, aixintiankong wrote:
Dear ,
I want to use charmm force field to simulate the protein and ligand
system. The protein can selcet charmm27 in gromacs, but i don't konw how to get
the charmm force field for the ligand. could tell me a simple way to get the to
Topology f
Dear ,
I want to use charmm force field to simulate the protein and ligand
system. The protein can selcet charmm27 in gromacs, but i don't konw how to get
the charmm force field for the ligand. could tell me a simple way to get the to
Topology file for the organic molecule .
thank you !
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