jalemkul at vt.edu
Wed Jun 13 17:14:36 CEST 2018
On 6/13/18 11:11 AM, niki24 at tezu.ernet.in wrote:
>> On 5/31/18 10:54 AM, niki24 at tezu.ernet.in wrote:
>>> Can anyone provide me with the correct topolgy file for
>> AMP is part of the CHARMM36 force field. Generate the topology with
>> Justin A. Lemkul, Ph.D.
>> Assistant Professor
>> Virginia Tech Department of Biochemistry
>> 303 Engel Hall
>> 340 West Campus Dr.
>> Blacksburg, VA 24061
>> jalemkul at vt.edu | (540) 231-3129
>> Dear Justin,
> Thanks a lot for your reply.
> I have generated the topology using CHARMM36 forcefield.
> But, however i would like to convert it into an itp file to
> be used in gromos54a7 force field.
> I am not being able to properly generate the itp file.
> I have attached the topol.top file generated for AMP through CHARMM36 in
> the link provided.
You can't convert one force field to another. Force fields are
self-consistent entities. You have to choose one force field and stick
to it. If GROMOS96 doesn't meet your needs, then use a force field that
does, like CHARMM36.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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