[gmx-users] Topology

Justin A. Lemkul jalemkul at vt.edu
Fri Mar 11 13:09:14 CET 2011

chitrala kumaraswamynaidu wrote:
> Iam working with a NMR protein containing Zn ions. After generating 
> topology file using pdb2gmx, it is generating topology files containing 
> Protein and ions separately. How can i solve this.

pdb2gmx -chainsep (-merge in old versions).



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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