On 8/5/13 5:39 AM, chinnu657 wrote:
Hi Justin,
The simulation is running fine for this task. Thank you for helping me
There's something additional I want to do and I'd like to know how you'd
approach it. I want to add charges to each of the protein so that I can
observe how the respective protein interacts with their respective charge
cloud. The proteins im using are 2CDS.pdb and 1AKI.pdb from the RCSB bank.
From what I figured, I tried using genion under the impression that I could
replace the solvent molecules with CL ions but I don't think this worked.
I'd really appreciate it if you could share your thoughts on this
I don't see how adding ions into the solvent would help you understand anything
about changing charges on the protein.
Please start a new thread if you're introducing a new topic for discussion.
-Justin
--
==================================================
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
