AMBER Archive (2008)

Subject: AMBER: anything wrong with this script

From: Chih-Ying Lin (chihying_at_usc.edu)
Date: Tue Apr 08 2008 - 19:27:50 CDT

to collect the dihedral angles

trajin azocisbenzene_vac_md1_12Acut.mdcrd
dihedral trpphi :1_at_C4 :1_at_N1 :1_at_N2 :1_at_C7 out azocisbenzene_phi.dat

where 1_at_C4, 1_at_N1, 1_at_N2 and 1_at_C7 are defined in the prmtop file

thanks
Lin
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