Dear Users, I want to calculate the configurational entropy of certain water molecules in a protein water system. Can you kindly inform me how to do it?
>From different forums I have seen that it can be down by using g_covar and g_anaeig programs. But I don't clearly understand the use. From this I am getting just a single entropy value. How an I get the entropy as a function of time? Thanks in advance, Saumyak -- ================================ *Saumyak Mukherjee* Junior Research Fellow Prof. Biman Bagchi's Group Solid State and Structural Chemistry Unit Indian Institute of Science Bangalore - 560012 Mob : 8017292426 Alternative e-mail : saumyakmukher...@gmail.com smukher...@sscu.iisc.ernet.in ================================ -- 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.