[gmx-users] Question from new gromacs user
jalemkul at vt.edu
Tue May 28 02:45:24 CEST 2019
On 5/27/19 5:22 PM, Nabil Abid wrote:
> i need to get some help concerning gromacs utilities and mainly how to get the full structure of protein (all system) from a generated extreme.pdb file (only c-alpha). thanks
GROMACS has no ability to rebuild an entire structure. pdb2gmx can build
missing H atoms but nothing else.
Justin A. Lemkul, Ph.D.
Office: 301 Fralin Hall
Lab: 303 Engel Hall
Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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