[gmx-users] converting amber distributed parameters to gromacs.

[Felipe Pineda, PhD]

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.pinedadecastro at 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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-- 
+-----------------------------------+
| Luis Felipe Pineda De Castro, PhD |
| Computational Chemist - Postdoc   |
| Computational Chemistry and       |
| Biochemistry Laboratory           |
| School of Natural Sciences        |
| Linnaeus University               |
| SE-391 82 Kalmar                  |
| Norrgård, room 311                |
| Sweden - Sverige                  |
| Phone:  ++46-480-44 6329          |
| Mobile: ++46-76-8420572           |
| E-Mail: luis.pinedadecastro at lnu.se|
| Web:    lnu.se                    |
+-----------------------------------+