Re: [AMBER] Deletion of H atoms from pdb file used for MD simulations

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 15 Apr 2015 09:05:11 -0400

On Wed, 2015-04-15 at 11:35 +0500, muhammad tahir ayub wrote:
> Dear All
> While editing the pdb we need to delete the hydrogens, I have
> used the following commands but all the hydrogens were not deleted
>
> reduce -trim pdbnameH > pdbname

Try using -Trim instead of -trim. This *should* delete all hydrogens
(I've never had problems with that before).

If this doesn't work, attach your PDB file to an email.

HTH,
Jason 

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Apr 15 2015 - 06:30:04 PDT
Custom Search