Sorry for the previous mistake. Instead of 53a7, the force field which I used was 53a6.
On Fri, Nov 8, 2013 at 12:10 AM, Justin Lemkul [via GROMACS] < ml-node+s5086n5012325...@n6.nabble.com> wrote: > > > On 11/7/13 12:14 PM, pratibha wrote: > > My protein contains metal ions which are parameterized only in gromos > force > > field. Since I am a newbie to MD simulations, it would be difficult for > me > > to parameterize those myself. > > Can you please guide me as per my previous mail which out of the two > > simulations should I consider more reliable-43a1 or 53a7? > > AFAIK, there is no such thing as 53A7, and your original message was full > of > similar typos, making it nearly impossible to figure out what you were > actually > doing. Can you indicate the actual force field(s) that you have been > using in > case someone has any ideas? The difference between 53A6 and 54A7 should > be > quite pronounced, in my experience, thus any guesses as to what "53A7" > should be > doing are not productive because I don't know what that is. > > -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 > > [hidden email] <http://user/SendEmail.jtp?type=node&node=5012325&i=0> | > (410) 706-7441 > > ================================================== > -- > gmx-users mailing list [hidden > email]<http://user/SendEmail.jtp?type=node&node=5012325&i=1> > 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 [hidden > email]<http://user/SendEmail.jtp?type=node&node=5012325&i=2>. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > ------------------------------ > If you reply to this email, your message will be added to the discussion > below: > > http://gromacs.5086.x6.nabble.com/choosing-force-field-tp5012242p5012325.html > To unsubscribe from choosing force field, click > here<http://gromacs.5086.x6.nabble.com/template/NamlServlet.jtp?macro=unsubscribe_by_code&node=5012242&code=a2Fwb29ycHJhdGliaGE3QGdtYWlsLmNvbXw1MDEyMjQyfC02NjkwNjY5MjU=> > . > NAML<http://gromacs.5086.x6.nabble.com/template/NamlServlet.jtp?macro=macro_viewer&id=instant_html%21nabble%3Aemail.naml&base=nabble.naml.namespaces.BasicNamespace-nabble.view.web.template.NabbleNamespace-nabble.view.web.template.NodeNamespace&breadcrumbs=notify_subscribers%21nabble%3Aemail.naml-instant_emails%21nabble%3Aemail.naml-send_instant_email%21nabble%3Aemail.naml> > -- View this message in context: http://gromacs.5086.x6.nabble.com/choosing-force-field-tp5012242p5012370.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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