Please provide me with necessary guidance. I have already posted this thrice but have not got a single reply Thanks in advance.
On Tue, Oct 1, 2013 at 3:40 PM, Nidhi Katyal <nidhikatyal1...@gmail.com>wrote: > Hello everyone, > > I would like to calculate angle tetrahedral order parameter of water > molecules as defined by Chau et al (eq 3). I am using g_hydorder of > gromacs 4.6.3 with my index group containing all oxygen atoms of water: > g_hydorder -f *.xtc -s *.tpr -o file1.xpm file2.xpm -or file_1.out > file_2.out -n index.ndx > I am getting following error; > No or not correct number (2) of output files :1 > It seems from above that correct number should be 2 but user is supplying > only 1 and so is the error. But I am giving names of two output files. > Also, I am unable to understand what exactly is contained in these > two/four output files. I tried to comprehend this by looking at > gmx_hydorder.c and could make a guess that I actually need sgmol/sgmean > (variables as defined in program) as the final output. > Please help me understand the usage of this command in order to fulfill my > aim.I have posted this twice but have not got a single reply. > Thanks in advance. > -- 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
