VMD-L Mailing List
From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Fri Apr 25 2014 - 15:55:48 CDT
- Next message: Ashish .Chauniyal: "Re: How do i merge files with mergemols"
- Previous message: JC Gumbart: "Re: measure Hbond and orient (with vec {0 0 1}) of a selected molecule"
- In reply to: Fateme Sadat Emami: "surface charge calculations"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Perhaps take a look at http://www.poissonboltzmann.org/apbs/. It has a VMD
interface although I never used it my self.
Regards,
Ajasja
On 25 April 2014 20:28, Fateme Sadat Emami <fe2_at_zips.uakron.edu> wrote:
> Dear vmd users,
> In a system with so many charged molecules and species, how could one
> calculate the overall surface charge of an arbitrary surface. Assuming the
> surface formula is simple (x,y ; z=z0) can this be done by vmd?
> Best,
> Fatima
>
>
> ---------------------------------------------------
> *Fateme Sadat Emami, Ph.D.*
>
> *Postdoctoral Fellow *
> *Non-Equilibrium Research Centre (NERC)**Northwestern University*
>
> *2145 Sheridan Road, Tech K231Evanston, IL 60208*
> *email: fatemesadat.emami_at_northwestern.edu
> <fatemesadat.emami_at_northwestern.edu>*
> *Web: http://www.nercenergy.com/people/researchers.html
> <http://www.nercenergy.com/people/researchers.html>*
>
- Next message: Ashish .Chauniyal: "Re: How do i merge files with mergemols"
- Previous message: JC Gumbart: "Re: measure Hbond and orient (with vec {0 0 1}) of a selected molecule"
- In reply to: Fateme Sadat Emami: "surface charge calculations"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]