Dear Gromacs users, I need to apply a position restrain to some residues of my protein leaving the others free to move.
I used 'genpr' to generate the 'posre.itp' file as I did many other times to restrain the entire protein leaving the solvent free. Once I run 'grompp' I get the following message: "Fatal error: [ file "1_Cter.top", line 7895 ]: Atom index (152) in position_restraints out of bounds (1-3)" where atom 152 is the first atom in the protein that I want to restraint. Did anybody ever have this problem before/figured out how to solve it? Thanks a lot, Pascal ******************************************************************************* Pascal Baillod (PhD student) ******************************************************************************* Swiss Federal Institute of Technology EPFL Tel: +41-(0)21-693-0322 Institute of Chemical Sciences and Engineering , Fax: +41-(0)21-693-0320 Laboratory of Computational Chemistry and Biochemistry [EMAIL PROTECTED] Room BCH 4121, Avenue Forel, http://lcbcpc21.epfl.ch CH-1015 Lausanne ******************************************************************************* _______________________________________________ gmx-users mailing list [email protected] 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
