Sir,
I did an REMD for a peptide using implicit solvent model(8 replica 10 ns each).The experimental structure of peptide in water look like betasheet(from circular dichroism). But almost all conformations from trajectory look like alpha-helices.Then how I can correlate experimental and theoretical results. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
