[gmx-users] NMR restrained MD

[Rama Krishna Koppisetti]

Hi,

How to convert normal dihedrals   to so-called Ryckaert-Bellemans
potential dihedrals. Is there any script available for that.

Thanks
Rama


On Tue, Sep 10, 2013 at 3:44 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 9/10/13 4:35 PM, Rama Krishna Koppisetti wrote:
>
>> H
>> i Justin,
>>
>> The force field that I constructed with OPLS + Berger lipids
>> .
>> Similar to
>> your Bilayer tutorial.
>>
>>
> Presumably you are following Chris Neale's half-epsilon, double pairlist
> method then?  In any case, you're defining the same interaction multiple
> times using different parameters.  Something has gone wrong somewhere along
> the way.
>
> -Justin
>
>
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