our energy file.
- Original Message
From: David van der Spoel <[EMAIL PROTECTED]>
To: Discussion list for GROMACS users
Sent: Tuesday, January 29, 2008 9:45:01 PM
Subject: Re: [gmx-users] Temperature without trr
Alan Dodd wrote:
Gromacs users,
I want to look at the temperature diff
see what I mean? i.e. that the error due to not accounting
for constraints is constant.
Alan.
- Original Message
From: David van der Spoel <[EMAIL PROTECTED]>
To: Discussion list for GROMACS users
Sent: Tuesday, January 29, 2008 9:45:01 PM
Subject: Re: [gmx-users] Temperature without
Alan Dodd wrote:
Gromacs users,
I want to look at the temperature difference between groups, to check whether
temperature coupling is working ok (specifically if the lipid is at the same
temperature as the water).
Unfortunately, I've rather foolishly deleted all my trrs due to a lack of
space,
Gromacs users,
I want to look at the temperature difference between groups, to check whether
temperature coupling is working ok (specifically if the lipid is at the same
temperature as the water).
Unfortunately, I've rather foolishly deleted all my trrs due to a lack of
space, thinking xtc/edr w
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