soft repulsion option

From: Cristina Dezi <>
Date: Fri 26 May 2000 10:15:01 +0200

In performing minimization I got stars in the .sandout (EEL value) and
in the .restrt although the system reaches the convergence. It happens
with ISFTRP=1, if =0 no problems. Here is the input file:

#cdk2-parametri mg
residui che si muovono
RES 302 3323

Where is the problem ?

Cristina Dezi
Received on Fri May 26 2000 - 01:15:01 PDT
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