Tutorial-l Mailing List
From: Mina Ebrahimy (ebrahimy.mina_at_ut.ac.ir)
Date: Wed Sep 19 2018 - 09:30:53 CDT
- Next message: Schwartz, Noah: "Replica-Exchange Umbrella Sampling Won't Start on Laptop"
- Previous message: Dudas, Balint: "Re: NAMD-QM/MM: "QM forces are not compatible with CUDA at this time""
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi,
I used add ions plugin in VMD to ionize my water box. According to
Membrane Proteins Tutorial (November 2016) for the concentration I
inserted 1 M (double of real amount) to ionize my water box in 0.5 M.
But when I counted the number of water and ions molecules and calculate
the concentration of my solvent it was double and about 1M.
In add ion plugin (neutralized and set NaCl concentration to ----M)
should I put the exact amount of my concentration or double ones?
With Bests
Mina Ebrahimi
**
** Visit http://www.greatcircle.com/majordomo/ for more info on majordomo
**
- Next message: Schwartz, Noah: "Replica-Exchange Umbrella Sampling Won't Start on Laptop"
- Previous message: Dudas, Balint: "Re: NAMD-QM/MM: "QM forces are not compatible with CUDA at this time""
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
