AMBER Archive (2003)

Subject: AMBER: nmode, trajectory

From: kbyun_at_wesleyan.edu
Date: Fri Dec 12 2003 - 11:05:08 CST

Hi,
I'm using nmode for an entropy calucation on my RNA
molecule. In the run, I have four snapshots. However,
for snapshots #1 and #3 I do not get the "Total" nor the
"Vibrational" term. The output file is below. Can
someone explain why I am getting different outputs for
each snapshots?

Thanks,
Suzie Byun

----------------------------------------
NM
1
translational 52.160
rotational 52.071
2
Total 1966.703
translational 52.160
rotational 52.081
vibrational 1862.462
3
translational 52.160
rotational 51.968
4
Total 1968.172
translational 52.160
rotational 52.056
vibrational 1863.956

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