On 7/31/12 7:46 PM, Shima Arasteh wrote:
But If I want to use acetyl instead of formyl, then what about the chemical
activity of the formyl located in N-terminus?
The protein that I will put in the bilayer is composed of 2 monomers . The
monomers form a dimer from the N-terminus, the same
play the same role as formyl here?
Sincerely,
Shima
- Original Message -
From: Mark Abraham
To: gmx-users@gromacs.org
Cc:
Sent: Wednesday, August 1, 2012 2:49 AM
Subject: [gmx-users] Re: Diagnosing + system blowing up
Shima Arasteh wrote
>
> Thanks for dear Mark's
Thanks so much.
OK. I'll do my best.
Sincerely,
Shima
- Original Message -
From: Mark Abraham
To: gmx-users@gromacs.org
Cc:
Sent: Wednesday, August 1, 2012 2:49 AM
Subject: [gmx-users] Re: Diagnosing + system blowing up
Shima Arasteh wrote
>
> Thanks for dear Mark&#x
Shima Arasteh wrote
>
> Thanks for dear Mark's suggestions.
>
> What's the typical solution to fix such errors of grompp?
>
As I've said lots of times, you need to go and look at the atom types you're
using, what interactions are defined for them in ffbonded.itp and perhaps
reassess those type
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