[gmx-users] ligand

[farial tavakoli]

 blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px #715FFA solid !important; padding-left:1ex !important; background-color:white !important; }   Dear justin
Thank you so much 
Yours sincerelyFarial


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On Monday, August 14, 2017, 4:35 PM, Justin Lemkul <jalemkul at vt.edu> wrote:



On 8/14/17 2:03 AM, ‪farial tavakoli‬ ‪ wrote:
> Dear Justin
> Thanks for your advice.Now I am trying to create a .gro file from the united atom pdb structure file obtained from ATB  by using :editconf -f xxx.pdb -o xxx.gro
> but faced to this warning:
> WARNING: all CONECT records are ignored
> would you please advice me how can i solve this problem?

You don't.  You don't need connectivity information from the PDB because 
it's all in the topology.  This really shouldn't be a "warning," rather 
an informative note.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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