Dear Justin If we have simple duplex of DNA initially and than we have separated both the strand by constant velocity stretching. Hence now we have two states, one is bound state in the initial phase ( both strands are binds with each-other) and other is unbound state ( both strands separated) in the final phase of tine. Now if we want to calculate the DElTA_G ( binding free energy ), than is there any way in GROMACS to obtain this or we need to take help from some other mean. -- 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.
