[gmx-users] RE:Source code file: gmxfio.c, line: 784

vijay kumar hinge vijay vijaybioinfo2 at gmail.com
Tue Feb 5 12:52:23 CET 2008

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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080205/61298ac7/attachment.html>

More information about the gromacs.org_gmx-users mailing list