Hi,
this is not an elegant idea, but I don't know any better way by now. In
the function calcbackbone in meas.c in $AMBERHOME/src/carnal, remove the
lines starting with "#" at:
#ifdef DBG
if (!(i%4)) printf("\n");
printf("atoms %d-%d ", atomarray[i-3],
atomarray[i]);
#endif
and recompile carnal. Run carnal for just one snapshot and you should
get a list of starting and end atoms of each torsion measured.
Best regards
Holger
--
+++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037 USA
phone: +1-858-784-9788
fax: +1-858-784-8896
email: gohlke_at_scripps.edu
+++++++++++++++++++++++++++++++++++++++++++++
Received on Fri Feb 07 2003 - 16:23:15 PST
