[gmx-users] Fw: JUSTIN kalp in dppc tutorial

Justin Lemkul jalemkul at vt.edu
Sun Oct 4 21:36:46 CEST 2015

On 10/4/15 1:25 PM, ‪neda razavi‬ ‪ wrote:
>      ----- Forwarded Message -----
>    From: ‪neda razavi‬ ‪ <razavineda22 at yahoo.com>
>   To: "gromacs.org_gmx-users-request at maillist.sys.kth.se" <gromacs.org_gmx-users-request at maillist.sys.kth.se>
>   Sent: Sunday, 4 October 2015, 13:07:50
>   Subject: JUSTIN kalp in dppc tutorial
> Why did KALP-15_processed.gro file in Justine KALP in DPPC not include hydrogens of alpha carbon for GLY residue number 1?
>   i want to know that this loss of atoms does not cause errors in simulation  results?

GROMOS96 is a united-atom force field.  Aliphatic hydrogens are not explicitly 



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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