[AMBER] GB-HCP Example File and Setup

From: Richard Kullmann <Richard.Kullmann.mpikg.mpg.de>
Date: Wed, 24 Mar 2021 16:07:46 +0100

Hi all,

I am currently trying to speed up my implicit solvent simulations with
Hierarchical Charge Partitioning. Just including variables hcp and dhcp
in the input file didn't work (Fortran runtime error: Cannot match
namelist object name hcp). Furthermore I was not able to find the hcp
folder in AmberTools examples. Can you please tell me how to do it or
provide me with an example?
Thank you very much in advance.

Best regards,


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Received on Wed Mar 24 2021 - 08:30:03 PDT
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