[AMBER] lack scripts for Continuous constant pH molecular dynamics

From: Yingang Feng <yingangfeng.gmail.com>
Date: Thu, 27 Feb 2020 17:23:04 +0800

Dear all,

I am using Continuous constant pH molecular dynamics for pKa calculations
but I cannot find several scripts/programs described in the Amber2019
manual, Chapter 24. These scripts are for the analysis of results, listed
in section 24.3 (page 530) of the manual:
walker_extraction
wrap_traj
renameLamb.sh
getS_fitpKa_plot_taut.sh

Where to get these scripts?

Thanks for your help.

Yingang

-- 
Yingang Feng, Ph.D., Professor
Qingdao Institute of Bioenergy and Bioprocessing Technology, Chinese
Academy of Sciences
No. 189 Songling Road, Laoshan District , Qingdao 266101, China
http://www.bioenergychina.org/mb/fengyg.html
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Received on Thu Feb 27 2020 - 01:30:02 PST