Dear Hannes,
Thanks for your reply. I just checked the manual, and it is available
with the newest Gromacs version.
To be consistent with my studies, I am still using an old Gromacs
version, so it might be better for me
if I could solve the problem with parmed. Thanks!
All the best,
Qinghua
On 05/17/2017 12:08 PM, Hannes Loeffler wrote:
> On Wed, 17 May 2017 12:00:42 +0200
> Qinghua Liao <scorpio.liao.gmail.com> wrote:
>
>> Normally, it works fine. But now, I want to apply some distance
>> restraints between atoms from the two monomers, respectively.
> I don't know about ParmEd but as far as Gromacs goes you can do exactly
> that with modern versions of the software. Check the manual for
> [ intermolecular_interactions]
>
>
> Cheers,
> Hannes.
>
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Received on Wed May 17 2017 - 03:30:03 PDT
