Re: [gmx-users] segmentation fault with lincs warning

2008-07-21 Thread Justin A. Lemkul
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

Re: [gmx-users] segmentation fault with lincs warning

2008-07-20 Thread Justin A. Lemkul
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

Re: [gmx-users] segmentation fault with lincs warning

2008-07-14 Thread Justin A. Lemkul
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

[gmx-users] segmentation fault with lincs warning

2008-07-13 Thread ANINDITA GAYEN
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