[gmx-users] Residue not found in topology

[Justin Lemkul]

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

-- 
==================================================

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
http://www.thelemkullab.com

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