Hi, I need help please. I am calculating entropy of a single water in water solution. So I did a 10 ns NPT. Then I run
g_covar -f NPT.xtc -s NPT.tpr -o -l -av -v and g_anaeig_d -v eigenvec.trr -entropy -eig eigenval.xvg I have two questions. 1- In the g_covar it asks to select group, should I choose 'system' for both asks, or choose a 'single water'? 2- When I choose different time frames (of course after equilibrium), I get completely different entropy, why is that so? Best regards -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
