[gmx-users] Mixed 1-4 scaling factors
lielsapir at gmail.com
Mon Jun 23 16:34:27 CEST 2014
I am trying to use the GLYCAM force-field alםng with the standard AMBER
force-field for peptides.
In doing so, there is one major concern - both force-fields use different
1-4 scaling factors.
While AMBER uses fudgeLJ = 0.83333 and fudgeQQ = 0.5.
the GLYCAM force-field uses - fudgeLJ = 1.0 and fudgeQQ = 1.0 (no effective
I have read in the mailing list of ways to solve this. For example, this
thread from 2006:
*Does anyone have any alternatives for newer versions of Gromacs? (ie,
using function type 3 for glycam moieties)*
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