[gmx-developers] g_rmsf problem
TAPO (Thomas Agersten Poulsen)
tapo at novozymes.com
Wed Sep 17 16:18:00 CEST 2003
I have the following 2 problems using g_rmsf -oq to put RMDs of
C_alphas as B-factors in a PBD file:
1) On a 10ns trajectory the C_alpha atoms are displaced right out of the
box! This happens when using -b 0 -e 10000 or -b 0 -e 9000, but not using -b
0 -e 1000 or -b 0 -e 2000.
2) The -q some.pdb -oq some_other does not seem to work. The original
B-factors in some.pdb are copied unchanged to some_other.pdb.
Hope somebody can help.
Thomas A. Poulsen (TAPo)
+45 44 42 27 23
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