Mark Abraham a écrit :
Stéphane Téletchéa wrote:
I'm probalby doing something wrong but since neither the manual nor
the mailing list has driven me to the correct answer, i'm asking you
the problem. Thanks in advance for you answers and time.
...
Using grompp here and supplying an energy fil
Stéphane Téletchéa wrote:
I'm probalby doing something wrong but since neither the manual nor the
mailing list has driven me to the correct answer, i'm asking you the
problem. Thanks in advance for you answers and time.
I want to simulate my system with short NVT (for temperature
equilibratio
I'm probalby doing something wrong but since neither the manual nor the
mailing list has driven me to the correct answer, i'm asking you the
problem. Thanks in advance for you answers and time.
I want to simulate my system with short NVT (for temperature
equilibration) and then NPT since i've
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