Hello,
I have been working on the amber B1 tutorial. When I use the cpptraj
command to generate the rmsd file I get :-
CPPTRAJ: Trajectory Analysis. V15.00
___ ___ ___ ___
| \/ | \/ | \/ |
_|_/\_|_/\_|_/\_|_
| Date/time: 11/05/15 13:29:39
| Available memory: 13178.9 MB
Reading 'monA_vac.prmtop' as Amber Topology
TIME: Total execution time: 0.0263 seconds.
But my rmsd is not generated. Can anyone tell me what is the problem.
My input file is :
trajin monA_gb_md1_nocut.mdcrd
rms first mass out monA_gb_md1_nocut.rms time 0.1
and my command is
$AMBERHOME/bin/cpptraj -p monA_vac.prmtop -i monA_gb_md1_nocut.calc_rms
I checked the mdcrd and prmtop files and they seem fine.
--
Thank You and Regards,
Aishani Chittoor Prem
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Received on Thu Nov 05 2015 - 14:00:03 PST
