[gmx-users] [EXTERNAL] Iterative Boltzman Inversion

[Smith, Micholas D.]

I am not sure if it is for martini or not but one that may be adapted (from what I can tell) is VOTCA .


-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> On Behalf Of Maryam Sadeghi
Sent: Friday, November 1, 2019 7:32 PM
To: gmx-users at gromacs.org
Subject: [EXTERNAL] [gmx-users] Iterative Boltzman Inversion

Dear All,

I was wondering if there are any codes in GROMACS for doing Iterative Boltzman Inversion to reproduce the target pair distribution functions for a MARTINI coarse grained structure given by atomistic simulations?

Best
Maryam
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