On 7/10/13 8:32 AM, Atila Petrosian wrote:
Dear Justin
I do your tutorial entitled " KALP15 in DPPC ".
In Step Three: Defining the Unit Cell & Adding Solvent,
You said "Use trjconv to remove periodicity ".
When I use trjconv -s em.tpr -f dppc128.gro -o dppc128_whole.gro -pbc mol
-ur compact,
gromacs tell me: Select group for output.
Which group I should select? system or dppc?
It doesn't really matter. I usually stick with System, but in this case it's
irrelevant because InflateGRO is going to nix the waters in the next step, anyway.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Associate
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
