Re: diffusion of protein into water box

From: Ramin Ekhteiari (ramin_ekh_at_yahoo.com)
Date: Sun Nov 24 2013 - 08:21:04 CST

• Next message: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Previous message: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• In reply to: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Next in thread: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Reply: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Is it reasonable? ( diffusion of protein ). But when protein cross the boundary of the box, the periodic images will interact with themselves affecting the outcome of the simulation. Ramin. On Sunday, November 24, 2013 4:14 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote: On Sun, Nov 24, 2013 at 3:06 PM, Ramin Ekhteiari <ramin_ekh_at_yahoo.com> wrote: > Hi, > > I did a MD for a protein at a water box via NAMD, but during simulation the > protein diffuse along the box and cross the boundary. > > Would be grateful for any help. help to do what? axel. > > Cheers, > Ramin -- Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.

• Next message: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Previous message: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• In reply to: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Next in thread: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Reply: Axel Kohlmeyer: "Re: diffusion of protein into water box"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:21:56 CST