Dear users, I am getting the problem in reading full .xtc file. The simulation time is 200 ns. But while giving command
./g_hbond -f dna_pro_whole_nojump_cent.xtc -s sys2.tpr -num Pro_H2A2.xvg I am getting below error. The .xtc file is reading only till 20ns and givng error. I am not getting error for other .xtc files Please provide soultion to the problem. ***************************************************************** Calculating hydrogen bonds in Protein (12424 atoms) Found 1231 donors and 2226 acceptors Reading frame 0 time 0.000 Will do grid-seach on 29x20x30 grid, rcut=0.35 Reading frame 2000 time 20000.000 ------------------------------------------------------- Program g_hbond, VERSION 4.5.5 Source code file: gmx_hbond.c, line: 1211 Fatal error: Your computational box has shrunk too much. g_hbond can not handle this situation, sorry. ********************************************************************* NIKHIL S. GADEWAL ACTREC, Tata Memorial Centre, Kharghar, Navi Mumbai, India -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
