AMBER: Collect dihedral angles

From: Chih-Ying Lin <>
Date: Wed, 09 Apr 2008 14:35:09 -0700

 to collect the dihedral angles

after the command
 $AMBERHOME/exe/ptraj azocisbenzene.prmtop <measure_trp_angles.ptraj.txt > cis_dihedral.out
 I could not get the azocisbenzene_phi.dat...... or cis_dihedral.out.....
the file : measure_trp_angles.ptraj.txt
trajin azocisbenzene_vac_md1_12Acut.mdcrd
dihedral trpphi :1.C4 :1.N1 :1.N2 :1.C7 out azocisbenzene_phi.dat

 where 1.C4, 1.N1, 1.N2 and 1.C7 are defined in the prmtop file


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Received on Fri Apr 18 2008 - 21:18:14 PDT
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