> the g_h2order still makes problem, i divided the box > into 1 slice but it told me there are 2405777 water in the slice > while the system has only 2827 tip4p water molecules. > and the mu and cos generated is tortured! > can it be any mistakes from the index? my index > file has only one group of the sequence OW HW1 HW2, the shell > is not included.
Didn't David just reply yesterday and say that that number is a sum of all terms over the entire trajectory being analysed? i.e. if you analysis a single FRAME (not slice), then the number should correspond to the number of waters in there. Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTECTED] +61 3 9903 9524 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
