[gmx-users] sugar dihedral parameters

Yun Shi yunshi09 at gmail.com
Thu Aug 25 00:24:43 CEST 2011


In the ATB-distributed 53a6_carbo_new.dat, there are more than one set of
parameters specified for some dihedral angles. For example,

O5-C5-C6-O6 has a 1-fold term as gd_5, and a 3-fold term gd_37;

C3-C2-C1-O5 has a 2-fold term as gd_17, and a 3-fold term as gd_34.

So which one should I use?


Yun Shi
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