Re: Solvating protein with ions

From: Richard Law (rlaw_at_hanyou.llnl.gov)
Date: Wed Jun 06 2007 - 19:09:57 CDT

The most commonly used (I think) way to do this is to use solvate and
autoionize in VMD.

On Wed, 6 Jun 2007, [ISO-8859-1] Leandro Martínez wrote:

> Hi Barry, you can try our Packmol package:
> http://www.ime.unicamp.br/~martinez/packmol
> It is quite simple to use it to build a box of water, protein
> and ions.
> Leandro.
>
>
>
>
> On 6/6/07, B.R.Silver_at_warwick.ac.uk <B.R.Silver_at_warwick.ac.uk> wrote:
>>
>> Hi
>>
>> I would like to solvate a protein with a water box which contains ions
>> ,say NaCl salt is added to water .
>> How would I go about this
>>
>> Barry
>>
>>
>> --
>> Molecular Organisation and Assembly in Cells
>> Coventry House
>> University of Warwick
>> Gibbet Hill Road
>> Coventry
>> CV4 7AL
>>
>>
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:46:26 CST