On 5/10/2012 4:12 PM, mohammad agha wrote:
Dear Mark,
Yes, you're right. Excuse me, for this and thank you for your reminder.
May I know your idea about cause of my doubt, Please?
As I said yesterday:
At least one of your volume, contents or model physics are not
consistent with the others, but only you can say which.
Since only you know anything about your volume, contents and model
physics, or that of the work you think you should be replicating, we
can't help at the moment. See previous comment about relevant
information :-)
Mark
Best Regards
Sara
----- Original Message -----
From: Mark Abraham <mark.abra...@anu.edu.au>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Cc:
Sent: Friday, October 5, 2012 9:34 AM
Subject: Re: [gmx-users] equilibrium for box of simulation
On 5/10/2012 3:55 PM, mohammad agha wrote:
Dear Justin,
Thank you very much.
So, decreasing of box dimensions is not bad, if all thing process natural, yes?
The cause of my doubt was because of in the most of articles was said for example "
we select box with dimensions 10nm that after equilibrium was converted to 11nm" and
I didn't see the report of decreasing of box dimensions! May I know your idea about it,
Please?
Following a published method closely and observing an opposite result is a cause for
concern. You have to judge "closely," however. You should have said earlier
this was one of your reasons for doubt, rather than leave us to guess. The quality of the
help you might receive is often in direct proportion to the quantity of relevant
information you give in asking for it.
Mark
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