NAMD-INCONSISTENCY IN SCOR

From: jose correa (corrjose_at_gmail.com)
Date: Tue Jun 12 2012 - 17:23:00 CDT

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Dear All
We are trying to run a MD simulations employing protein-ligand inside
membrane, following the tutorial, we see that the step 2 consider a
temperature of 300 K whereas that in 1 step is at 0 K, we try to heat the
sytem gradually from 1 o 2 to avoid the atom crashes, however, we get this
error (file attach). INCONSISTENCY IN SCOR TABLE ENERGY VS FORCE
Best wishes
José

• text/plain attachment: 3EML_ADN_popcwimineq-02.log

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