[gmx-users] ambar to opls force field
Mark.Abraham at anu.edu.au
Sat May 7 00:45:10 CEST 2011
On 7/05/2011 8:10 AM, Nilesh Dhumal wrote:
> How can I convert ambar force field to opls force field.
> Should I half the force constant of bond (Ka) and angle (Kb)?
Having read the papers describing how their bonded interactions work,
shouldn't you know how to convert them?
Having a good reason for mixing force fields, would help, too...
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