<div dir="ltr"><div>Hi all,</div>
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<div>Is it the case that the gromacs simulation engine can not presently make use of the AMOEBA force field?</div>
<div>i.e. it is not possible to use amb2gmx on amoeba topology and coordinates output from amber's leap and have the result executed by gromacs? I see a flag is set in amber simulation engine to get an amoeba run.</div>
<div>Would changing gromacs to use amoeba be a major exercise?</div>
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<div>cheers,</div>
<div> John. </div></div>