Dear gromacs users, I am Surya a Ph.D. scholar from lab of computational biology, CDFD, Hyderabad. I have done simulations for 100ns of 20 residue length peptide. I have done dPCA as mentioned in the gromacs tutorial. I have made a dangle.ndx file with all dihedral angles atom numbers. I created .trr file with 24 atoms of every time frame. Then based on the formula 2*N/3, I made another .ndx file of 24 atom numbers as my number of dihedral angles are 36 to create resized.gro file. Kindly tell me whether my methodology is correct to go ahead for further analysis such as gmx covar and gmx anaeig.
Thanks in advance Surya Graduate student India. -- 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.
