RE: WHAM analysis for Umbrella sampling

From: Ada Zhan (
Date: Wed May 01 2013 - 12:20:15 CDT


Thanks for your suggestions! I will take a look at those papers.
I understand the part that WHAM equations require only histograms or counts or probability distribution.
I just could not find a standalone and well established WHAM software that accepts histograms directly. For WHAM by Grossfield, it was confirmed by the developer that I do need to modify the code a little bit to do that. Modifying the code or even writing a code like this is too much for me.
If someone can develop a WHAM plugin for VMD that bridges the histogram files from NAMD and WHAM analysis, it would a great plus!

Thank all of you again! You guys are really helpful!

Best regards,

Date: Wed, 1 May 2013 09:01:44 +0200
Subject: Re: namd-l: WHAM analysis for Umbrella sampling

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