<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">I want the velocity autocorrelation output in double precision. How can I get that?<br><br>Thanks,<br>SN<br><br>--- On <b>Thu, 4/28/11, Mark Abraham <i><Mark.Abraham@anu.edu.au></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Mark Abraham <Mark.Abraham@anu.edu.au><br>Subject: Re: [gmx-users] how to get higher precision values for g_velacc<br>To: "Discussion list for GROMACS users" <gmx-users@gromacs.org><br>Date: Thursday, April 28, 2011, 8:21 PM<br><br><div class="plainMail">On 4/29/2011 4:48 AM, shivangi nangia wrote:<br>> Dear gmx users,<br>> <br>> 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.<br>> Is there a way to get the values in higher
precision?<br><br>Depends what you've done so far, but either you need to collect velocity data more often, or in double precision, or both.<br><br>Mark<br><br><br><br>-- gmx-users mailing list <a ymailto="mailto:gmx-users@gromacs.org" href="/mc/compose?to=gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/Support/Mailing_Lists/Search</a> before posting!<br>Please don't post (un)subscribe requests to the list. Use the www interface or send it to <a ymailto="mailto:gmx-users-request@gromacs.org" href="/mc/compose?to=gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists"
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