[gmx-users] Residue not found in topology

Justin Lemkul 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 
GROMACS manual.



Justin A. Lemkul, Ph.D.
Assistant Professor
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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