t to check your own work.
-Justin
Can anyone please help me with the topology?
--- On Mon, 21/7/08, Justin A. Lemkul <[EMAIL PROTECTED]> wrote:
From: Justin A. Lemkul <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] segmentation fault with lincs warning
To: [EMAIL PROTECTED]
Cc: gmx-u
enbox or InflatGRO to prepare the
input structure.
-Justin
Sincerely
yours,
Anindita Gayen
--- On Mon, 14/7/08, Justin A. Lemkul <[EMAIL PROTECTED]> wrote:
From: Justin A. Lemkul <[EMAIL PROTECTED]>
Subject: Re: [gmx-users] segmentation fault with lincs warning
To: [EMAIL PROTECTED], &q
ANINDITA GAYEN wrote:
Dear all,
I have an dmpc bilayer equilibrated for 12 ns. I have built a CHAPS molecule in
the OPLSAA force field and inserted it in the equilibrated bilayer. There was
no problem till the minimisation, but when i started the MD, the job escaped
out with a lincs error
Dear all,
I have an dmpc bilayer equilibrated for 12 ns. I have built a CHAPS molecule in
the OPLSAA force field and inserted it in the equilibrated bilayer. There was
no problem till the minimisation, but when i started the MD, the job escaped
out with a lincs error
Initializing LINear Const
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