Dear users, While calculating the distance matrix using g_mdmat, with -no option, it gives an xvg output pertaining the total, mean etc contacts of the residue within 1.5Ang in the trajectory. I calculated the same for a single frame (or pdb file)
#res ratio tot mean natm mean/atm 1 1.000 640 640.000 19 33.684 2 1.000 530 530.000 17 31.176 3 1.000 805 805.000 22 36.591 4 1.000 571 571.000 17 33.588 I am little doubtful about the number under total. Does this mean that the atoms of that residue has total of 640 contacts (in one frame)? Are there any otherway to get contact map for the whole trajectory where we can mention min and max cut-off distance? Thank you kavya -- 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
