[gmx-users] Re: umbrella sampling with distances larger than half box size

anaome anaome at fundp.ac.be
Mon Jun 25 11:32:40 CEST 2012

Thanks Stephan for your suggestions,

A finally found a solution for distance larger than half the box size:
1) Regenerate the tpr files with pbc=no
2) Perform WHAM analysis with the umbrella forces (-if)

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