[gmx-users] Residue not found in topology
jalemkul at vt.edu
Thu Aug 23 14:13:52 CEST 2018
On 8/23/18 8:12 AM, Amir Zeb wrote:
> Thanks Justin,
> I have followed what did you suggest for .rtp entry in merged.rtp file of
> charmm36 ff.
> But i could not make .hdb file for ALY. Where can i find the H-information
> for ALY to insert them in merged.hdb file of charmm36 ff?
Look at existing residues and consult the relevant portion of the
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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