Thank you very much from your answer. Best Regards Sara
________________________________ From: Justin Lemkul <[email protected]> To: mohammad agha <[email protected]>; Discussion list for GROMACS users <[email protected]> Sent: Wednesday, September 25, 2013 3:07 PM Subject: Re: [gmx-users] force field for Titanium On 9/25/13 4:54 AM, mohammad agha wrote: > Dear Gromacs Specialists, > > I am searched force field for Titanium (Ti) element. Parameters consist of > sigma and epsilon. Can you help me, Please? > http://www.gromacs.org/Documentation/How-tos/Parameterization#Exotic_Species I sincerely doubt that a traditional MM approach to simulating Ti will produce anything particularly useful. -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 [email protected] | (410) 706-7441 ================================================== -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
