[AMBER] negative values for the dihedral height barrier in GLYCAM

From: ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
Date: Tue, 23 Sep 2014 15:09:30 +0000

Hello all,

I am trying to convert some GLYCAM parameters to simulations with the GROMACS code. But I am confused how to convert the dihedral terms where the barrier height values are negative. For instance in the GLYCAM06j, one can find the following dihedral parameter:

Os-Cj-Cj-Cg 1 -13.00 0.0 2 SCEE=1.0 SCNB=1.0 copy of Os-Ck-Ck-Cg

 What is the meaning of < 0 value ?

Thanks for your help.

Stéphane



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Received on Tue Sep 23 2014 - 08:30:04 PDT