[gmx-users] spliting trajectory g_hbond -contact
hmkvsri at gmail.com
Sat Feb 8 11:32:54 CET 2014
I need a small clarification . I have to get an index file for the
contact between protein and water with a cut of distance of
0.35 nm. its a 20ns run. When i use g_hbond along with -contact
it runs for a while, say few ns and gets killed due to the memory
overload. The system I use has 16Gb RAM and i cannot increase it.
So the question is instead of calculating the contact between the
two entities for the whole trajectory, if I split the trajectory into 2
halves and then calculate the contact, will the combined index
file obtained be same as the one had I used the whole trajectory?
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