Hi, all: Im using g_disre in gmx3.3.1 to calculate violations of distance restraints in a simulation and I saw the message:
Fatal error: tpr inconsistency. ndr = 0, label = 1 The gmxdump of tpr shows functype[459]=DISRES, label= 1, type=1, low= 1.80000007e-01, up1= 2.80000001e-01, up2= 3.30000013e-01, fac= 1.00000000e+00) Im looking for hints in the gmx-users mail box and ... "Usually problems here are related to the topology. Check whether one of the restraints is missing (typically the one with label = 362). This check is in g_disre only, not in mdrun or grompp. Maybe it should be in the latter..." It seems that the restraint is there.... Am I forgeting something? Any hint will be sincerely appreciated! Im lost here! Francisco -- ________________________________________________________ Francisco Gomes Neto Centro Nacional de Ressonancia Magnetica Nuclear - CNRMN Av. Brigadeiro Trompowisky, s/n - Predio CCS - Sala E-10 Rio de Janeiro - RJ - CEP 21.941-590 e-mail: [EMAIL PROTECTED] http://cnrmn.bioqmed.ufrj.br _______________________________________________ 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