On 29/02/2012 3:10 PM, priya thiyagarajan wrote:
hello sir,
I performed simulation for 30ns, because of queue time limit my run terminated
at 11.6ns..
i thought of analysing my trajectory file.. so generated pdb file from trr
using dump option..
when i visualize the pdb,i noted that my protein structure got fragmented..
when i visualize my npt and nvt structure ,its looking good.. but my md
structure getting framented..
what is the possible reason for this fragmentation.
See
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions
for likely explanation and solution.
Mark
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
