[gmx-users] Problem with simulation of Protein-DNA complex

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Feb 10 06:08:18 CET 2012


Hi Rohit,

Have you checked the atoms around 3460? It seems there's something wrong
with your starting structure.

Cheers,

Tsjerk

On Feb 9, 2012 2:09 PM, <rarora at ens-cachan.fr> wrote:

Hi Lina,

I am sorry, I think I forgot to mention that I did perform energy
minimisation using Steep-Descent for 5000 steps, before NVT.

I was so engrossed in other details that I forgot to mention it!

Quoting lina <lina.lastname at gmail.com>: > On Thu, Feb 9, 2012 at 8:44 PM,
 <rarora at ens-cachan.f...
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