There is not too much to say: the script is self-explanatory.
Look also:
http://www.gromacs.org/Documentation/Terminology/Force_Fields/AMBER?highlight=antechamber
On 11/07/2012 10:27 AM, Rajiv Gandhi wrote:
Could you please tell how do i use this script over amber file? Thanks.
On Wed, Nov 7, 2012 at 5:58 PM, Felipe Pineda, PhD <
luis.pinedadecas...@lnu.se> wrote:
ffamber.cnsm.csulb.edu/**amb2gmx.pl<http://ffamber.cnsm.csulb.edu/amb2gmx.pl>
On 11/07/2012 09:45 AM, Rajiv Gandhi wrote:
Dear Gromacs user,
I have found the parameters file for my ligand which is available in AMBER
distribution parameter database, Could you advice me how do i use them in
running over MD in gromacs? Thanks in advance,
Regards
Raju
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