Hi, On Thursday, 27. September 2007 11:29, TANG JIAOWEI wrote: > Dear all, > I am studying on a big protein with 16 subunits and when i used g_rmsd to > one subunit of the protein, the result seems strange that the structure of > the subunit changes much but it should not.. I searched the mailing list > and it may be caused by the periodic thing. Could you tell me how to remove > the periodic thing in detail before i use g_rmsd.
something like: trjconv -s yourmdstartfile.tpr -f yourtrj.trr -o pbc.trr -pbc nojump select as group your complete system. than g_rmsd ... > > Thank you > > Tang jiaowei Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26581 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-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
