[gmx-users] genion

[Nancy Deng]

I have not get a chance to try yet. But I will definitely keep you updated with my new result very soon.

thanks,

nancy
  ----- Original Message ----- 
  From: Dallas Warren 
  To: Discussion list for GROMACS users 
  Sent: Tuesday, March 01, 2005 1:50 PM
  Subject: Re: [gmx-users] genion


    Probably genion placed solvent inside the protein, and you used genion without the -random option. In that case it places the ion where the potential is most favorable, which will usually be inside the protein.

  Has that been fixed?  I haven't tried to use the option for awhile now, as last time I did that was broken and it simply placed all ions along one face of the box.

  Catch ya,

  Dr. Dallas Warren
  Lecturer
  Department of Pharmaceutical Biology and Pharmacology
  Victorian College of Pharmacy, Monash University
  381 Royal Parade, Parkville VIC 3010
  dallas.warren at vcp.monash.edu.au
  +61 3 9903 9083
  --------------------------------------------------------------------------
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