[AMBER] The Calculate Formula of Ionic strength in MM_PBSA/GBSA

From: 龚乾坤 <m201770109.hust.edu.cn>
Date: Mon, 9 Jul 2018 16:40:56 +0800 (GMT+08:00)

Dear AMBER users and developers,

Here,I have a question about MM_PBSA/GBSA.When I calculate the Ionic strength (parameter ISTRNG --

Ionic strength (in mM) for the Poisson-Boltzmann solvent in MM_PBSA ), which formula should I use ?

And what is the formula's unit ?

Thank you in advance.

Qiankun Gong
AMBER mailing list
Received on Mon Jul 09 2018 - 02:00:03 PDT
Custom Search