From: Brian Radak (brian.radak_at_gmail.com)
Date: Sun Sep 15 2019 - 18:00:36 CDT
I would recommend reading the tutorial
or else consulting the relevant portion of the user guide. The cphlog
format is extensively documented. A semi-official but not entirely
supported tool called "cphanalyze" is available with the pynamd pacakge on my
personal GitHub page <https://github.com/radakb/pynamd>. Installation and
usage is covered in the tutorial.
On Sun, Sep 15, 2019 at 3:37 PM SHOBHIT JAIN . <
> Respected Sir/maam
> I was running a constant pH simulation using namd i wamt to know how to
> calculate the fraction of protonted over deprotonted.
> Shobhit jain
> BITS Pilani Hyderabad Campus
This archive was generated by hypermail 2.1.6 : Tue Dec 31 2019 - 23:20:57 CST