[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

========================================



More information about the gromacs.org_gmx-users mailing list