<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>Dear Mark,</div><div><br></div><div>Thank you for your quick reply. I mean if there is any way we can control the frequency for coupling the temperature if we still use GROMACS V4.0.7 on LINUX?</div><div><br></div><div>Many thanks,</div><div><br></div><div>Alex</div><div><br></div><div>On Jan 17, 2012, at 1:08 AM, <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; ">On 17/01/2012 7:53 PM, Size Zheng wrote:<br><blockquote type="cite">Dear All,<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">We are doing a simulation for ice melting in Efield with thermostat, and we would like to control the frequency for coupling the temperature by setting "nsttcouple". But we always received a warning said it was a unknown parameter during "grompp" in GROMACS V4.0.7 on LINUX. I also tried it by GROMACS V4.5.4 on my MAC OS, it was done successfully. Unfortunately, our HPC uses GROMACS V4.0.7, so it is a problem for us.<br></blockquote><br>Functionality changes from version to version, and you are observing<span class="Apple-converted-space"> </span><br>that here.<br><br><blockquote type="cite"><br></blockquote><blockquote type="cite">Is there anything we did incorrectly? Any suggestions?<br></blockquote><br>Install a more recent version. It's (much) less than an hour's work for<span class="Apple-converted-space"> </span><br>an experienced sysadmin, and runs faster as well.<br><br>Mark</span></blockquote></div><br></body></html>