Re: Periodic Boundary Condition

From: Kouji Hayama <>
Date: Thu 24 Aug 2000 16:09:40 +0900

Dear Micheal.

I run MD with iwrap=1 and iwrap=0.
I think that the result with "iwrap=1" is incorrect.
I send you with the start.gif and iwrap1.gif and iwrap0.gif .

I think that the result with "iwrap=1" doesn't change the box shape.
But this result is not so.
Is this correct ?
Thank you.

Kouji Hayama wrote:
> Dear Micheal,David,Osmar,Frank and all amber user.
> Thanks for many reply.
> I'm sorry , I might have a mistake.
> I had to run MD with iwrap=1 to view the box shape.
> I'm trying to run MD with iwrap=1,and 150ps calculation will spend 9
> days.
> if this calculation complete successfully or not, I will write the
> result
> to this mailing list.
> Thank you.
> Kouji Hayama wrote:
Attachment Converted: "c:\eudora\attach\iwrap0.gif"

Attachment Converted: "c:\eudora\attach\iwrap1.gif"

Attachment Converted: "c:\eudora\attach\start.gif"
Received on Thu Aug 24 2000 - 00:09:40 PDT
Custom Search