[gmx-users] pdb2gmx error
Justin A. Lemkul
jalemkul at vt.edu
Mon Apr 2 02:54:05 CEST 2012
Acoot Brett wrote:
> Hi Mark,
>
> The fifth residue of Chain A is Asn, not Val. But Asn also no CG.
>
Standard nomenclature of ASN dictates that there is a CG atom in the side chain.
If your input file does not have this atom or it is named incorrectly, it will
give rise to the error.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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