From: Ada Zhan (zyqfrog10_at_msn.com)
Date: Wed May 01 2013 - 12:20:15 CDT
Chris,
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,
Ada
Date: Wed, 1 May 2013 09:01:44 +0200
From: chipot_at_ks.uiuc.edu
To: zyqfrog10_at_msn.com
CC: jerome.henin_at_ibpc.fr; broomsday_at_gmail.com; namd-l_at_ks.uiuc.edu
Subject: Re: namd-l: WHAM analysis for Umbrella sampling
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