Dear Justin, Thank you very much. So, decreasing of box dimensions is not bad, if all thing process natural, yes? The cause of my doubt was because of in the most of articles was said for example " we select box with dimensions 10nm that after equilibrium was converted to 11nm" and I didn't see the report of decreasing of box dimensions! May I know your idea about it, Please?
Best Regards Sara ----- Original Message ----- From: Justin Lemkul <jalem...@vt.edu> To: mohammad agha <mra...@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> Cc: Sent: Thursday, October 4, 2012 7:57 PM Subject: Re: [gmx-users] equilibrium for box of simulation On 10/4/12 12:25 PM, mohammad agha wrote: > Dear Justin, > > Thank you very much from your help. > > Oh, yes, the vectors of box are downward in the first with much slope and > then the slope became milder and milder and then it become almost fix. > > For checking of density, should I use from formula: d=m/v? > You already have the density value; you posted it before. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- 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
