Re: [gmx-users] problem in g_confrms
harpreet singh wrote: Dear sir, I am trying to fit two confomations of a protein using g_confrms command. The program is giving the result but when I am trying to use two different proteins it is giving the following error. command: g_confrms -f1 1prg.pdb -f2 speptide.pdb -o fit.pdb --- Then it asked to "Select group from first structure" and "Select group from second structure", then I gave "0" (System) for both. At the end it has shown the following error: "--- Program g_confrms, VERSION 3.3.1 Source code file: gmx_confrms.c, line: 467 Fatal error: You selected groups with differen number of atoms. ---" While in the manual it is mentioned that we can use PDB files with different atoms. Suppose I have a set of 4 atoms and a set of 3 atoms. How would you like them to be superposed? Mark ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
[gmx-users] problem in g_confrms
Dear sir, I am trying to fit two confomations of a protein using g_confrms command. The program is giving the result but when I am trying to use two different proteins it is giving the following error. command: g_confrms -f1 1prg.pdb -f2 speptide.pdb -o fit.pdb --- Then it asked to "Select group from first structure" and "Select group from second structure", then I gave "0" (System) for both. At the end it has shown the following error: "--- Program g_confrms, VERSION 3.3.1 Source code file: gmx_confrms.c, line: 467 Fatal error: You selected groups with differen number of atoms. ---" While in the manual it is mentioned that we can use PDB files with different atoms. Kindly help me regarding this. Regards Harpreet Singh _ Climb to the top of the charts! Play Star Shuffle: the word scramble challenge with star power. http://club.live.com/star_shuffle.aspx?icid=starshuffle_wlmailtextlink_oct___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
