[gmx-users] g_energy and pressure
I am trying to analyze the pressure of my box with respect to time using g_energy but it seems to give crazy numbers. For example it gives positive and negative numbers in the 1000's. What units does it use or how does it calculate this? Should I be using another application to look at this? Additionally I am running it with a constant NVT setup. ~Christopher Stiles College of Nanoscale Science and Engineering (CNSE) State University of New York, Albany, New York 12203, USA ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
Re: [gmx-users] g_energy and pressure
Christopher Stiles wrote: I am trying to analyze the pressure of my box with respect to time using g_energy but it seems to give crazy numbers. For example it gives positive and negative numbers in the 1000’s. What units does it use or how does it calculate this? Should I be using another application to look at this? Additionally I am running it with a constant NVT setup. The answer here http://wiki.gromacs.org/index.php/FAQs applies for this question too. Mark ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
