Dear all, I want to compare the RDC data from MD simulation of a protein with those derived from RDC. I was wondering whether there is any program or implementation for calculation of RDC in gromacs.. There have been studies which have computed RDC from md simulation trajectories, for example, . http://spin.magnet.fsu.edu/pubs/showalter_bruschweiler_JACS_2007.pdf and http://www.ploscompbiol.org/article/info%3Adoi%2F10.1371%2Fjournal.pcbi.1002035
Kindly let me know, any function in gromacs or external program which can do that ... Thank you Gurunath -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
