[gmx-users] g_mdmat question
huskyrunnr at msn.com
Fri Mar 16 00:49:00 CET 2007
Dear gmx users,
I have a question about g_mdmat, related to a question I posed earlier. I know a bit more now. When I run the command on a trajectory in pdb format, either using -b and -e to specify which string of frames to average over, or just leaving -b, -e unspecified, I get a contact map that is not an average but is identical to the contact map of the structure in the last frame that is read. It does not matter whether I specify -mean or leave it out and run default. I have verified that averaging is not happening by using the -frames option and comparing the maps of the individual structures to my attempted average maps. I need some help/suggestions of what I might be doing wrong.
Thanks for any help you can give,
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