Re: [AMBER] xleap terminal terminate

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 4 Dec 2015 07:11:48 -0500

On Fri, Dec 4, 2015 at 3:36 AM, Ayesha Kanwal <ayesha_comsian.hotmail.com>
wrote:

> Dear Jason,
> my issue has been resolved.
> thank you
> and i also need your guidance for adding TIP3box ... what steps i should
> take ? have i first select forcefield after that load ligand.pdb file and
> then complex.pdb and protein.pdb files on xleap and then neutralize charges
> and after that add water ? please guide me for whole steps what should i
> have to do step by step . i'll be very thankful to you.
>

‚ÄčThis is what the tutorials are for. I highly recommend you try some of
them. In particular, B0 (http://ambermd.org/tutorials/basic/tutorial0/)

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Dec 04 2015 - 04:30:04 PST
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