hiii thank for your reply mark sory for pasting other url iam using gromacs 3.3 version on sunsolaris platform,my protein contain 86 aminoacid and iam trying to unfold it at 640k hear iam pasting the command which i was used for final mdrun grompp -c 1HB6M_pr.gro -p 1HB6M.top -o 1HB6uf_b4full.tpr -f full.mdp mdrun -v -s 1HB6uf_b4full.tpr -o 1HB6uf_full.trr -c 1HB6uf_full.gro -e 1HB6uf_full.edr -g 1HB6uf_full.log -nice 0 iam trying to simulate for 300ps (150000 steps),but it terminated after running step 22790(after1 hour) ----------------------------------------- the replay which i have seen in users archieve
>* Hi all, *>* *>* a short simulated-annealing simulation crashes with: *>* *>* Program mdrun, VERSION 3.3.2 *>* Source code file: gmxfio.c, line: 784 *>* *>* Fatal error: *>* Can not read/write topologies to file type trr* * *>* I read the a bit the sourcecode of and it seems as if it does sth like *>* determining and setting the do_read/write functions for file I/O. *>* *>* Any idea where this could come from? * try a clean compile (make distclean; configure and so on). >* *>* Best *>* Martin regards vijay *
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