Dear List and Mark
I followed your suggestions equilibrating the proteins of my complex
separately. In both cases i'm able to correctly equilibrate the system and
to perform a short md of 500ps. So I suppose that when i simulate both
protein together somewhere there is a clash. Now how could I
Dear List
I'm newbie to gromacs (sigh). I'm simulating the interaction between two
proteins(chrystallographic structures) following the spider toxin tutorial.
I'm able to correctly minimize ( E1000) and equilibrate (400 ps ) the
system. No error message appears to me and I'm quite sure that my
On 11/01/2012 8:35 PM, Guido Leoni wrote:
Dear List
I'm newbie to gromacs (sigh). I'm simulating the interaction between
two proteins(chrystallographic structures) following the spider toxin
tutorial. I'm able to correctly minimize ( E1000) and equilibrate
(400 ps ) the system. No error
3 matches
Mail list logo