Hi,
In both the cases i got the error as show below.
xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx
Step 0, time 0 (ps) LINCS WARNING
relative constraint deviation after LINCS:
max 2095.427979 (between atoms 4422 and 4424) rms
69.822533
bonds that rotated more than 30 degrees:
atom 1 atom 2 angle previous, current, constraint
length
1 4 90.0 0.1000 3.5921 0.1000
2 4 90.0 0.1000 29.8166 0.1000
3 4 90.0 0.1000 3.4683 0.1000
4 5 90.0 0.1470 3.7039 0.1470
5 6 67.6 0.1530 0.1440 0.1530
6 7 90.2 0.1430 1.8286 0.1430
7 8 90.0 0.1610 1.2737 0.1610
....................
...................
...................
after some time segmentation fault
xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx\
Could you suggest me where I have done mistake.
check your system carefully. Maybe insufficient energy minimization?
Don't forget to use position restrained MD to relax the system prior to
your production MD run.
I have had no troubles with this POPC system from Dr. Tieleman's website:
http://moose.bio.ucalgary.ca/files/popc128b.pdb
Also, check out the talk on "Membrane simulations" from the Gromacs
Workshop 2007:
http://www.csc.fi/english/research/sciences/chemistry/courses/gmx2007
regards
Oliver
_______________________________________________
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
