[gmx-users] REMD with different structures

different volume and pressure is affecting the exchange probability, and if it does, is it being included in the gromacs REMD simulations ? Please suggest a method to verify it . -- Regards Ruchi Lohia Graduate Student -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org

Re: [gmx-users] Dihedral pca

.trr file to .gro using trjconv. Hope it helps Thanks Ruchi Lohia PhD candidate Rutgers university Please someone who has done dihedral pca can guide me to proceed further. Waiting for reply. On Sat, Jan 3, 2015 at 1:35 PM, pratibha kapoor kapoorpratib...@gmail.com wrote: Even I have referred