I want the velocity autocorrelation output in double precision. How can I get that?
Thanks, SN --- On Thu, 4/28/11, Mark Abraham <mark.abra...@anu.edu.au> wrote: From: Mark Abraham <mark.abra...@anu.edu.au> Subject: Re: [gmx-users] how to get higher precision values for g_velacc To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> Date: Thursday, April 28, 2011, 8:21 PM On 4/29/2011 4:48 AM, shivangi nangia wrote: > Dear gmx users, > > I am using g_velacc to calculate the velocity auto correlation. The output I > am getting in .xvg file is much lower precision than I require. > Is there a way to get the values in higher precision? Depends what you've done so far, but either you need to collect velocity data more often, or in double precision, or both. Mark -- 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
-- 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
