shahab shariati skrev:
Hi all
excuse me for my past incomplete email.
I want to calculate B-factor using g_rmsf command as follows:
g_rmsf -f pr.xtc -s pr.tpr -n pr.ndx -oq
this command give me a pdb file whereas I want to obtain text file
(numeral value of B-factor ).
how to obtain B-factor value from this pdb file?
any help will highly appreciated.
Look in the b-factor field. See the reference for the pdb file format.
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Erik Marklund, PhD student
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
er...@xray.bmc.uu.se http://folding.bmc.uu.se/
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