On 8/21/13 11:02 AM, Albert wrote:
but actually the water name in my system IS "T3P" and the atom name in the water
model is "O". I've double checked for this.
Your selection, as Teemu says, is calling for *atoms* named T3P that are also
*atoms* named O, which is clearly impossible. The *residue* name is T3P.
-Justin
thx
Albert
On 08/21/2013 04:59 PM, Teemu Murtola wrote:
If that is really your selection, you are trying to select atoms that have
both name T3P and O, which is clearly impossible, so nothing gets selected.
Best regards,
Teemu
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
==================================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
