Re: [AMBER] Creating topology file in MMPBSA

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 25 Jul 2016 11:05:41 -0400

On Mon, Jul 25, 2016 at 8:51 AM, Anwesha Sarkar <anweshasarkar47.gmail.com>
wrote:

> Hello amberusers,
> Can anyone tell me the exact syntax for extracting the receptor topology
> from a complex topology file which has already been stripped of water and
> ions.
>

‚ÄčThe manual explains how to use ante-MMPBSA.py to do this. If you cannot
figure out how to use it, or you have problem using it, feel free to ask
another question with specifics about what you tried, what happened, or
what is confusing you (and try to be very precise -- don't describe it if
you have exact input and output).

HTH,
Jason

-- 
Jason M. Swails
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Received on Mon Jul 25 2016 - 08:30:02 PDT
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