[gmx-users] how to build topology

[Victor Rosas Garcia]

OK, I'll try that.

thanks for your input

Victor

2014-10-15 16:28 GMT-05:00 Justin Lemkul <jalemkul at vt.edu>:
>
>
> On 10/15/14 5:11 PM, Victor Rosas Garcia wrote:
>>
>> but... the lipids I am interested in are not included in the files
>> provided by the authors. I want to make a new lipid that is compatible
>> with said forcefield.
>>
>
> I see no advantage in trying to use acpype or any other tool, just to change
> the entirety of the content.  You can probably re-use most of the existing
> topologies (the authors provide examples), if you really want a template
> from which to work.
>
>
> -Justin
>
> --
> ==================================================
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> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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