Dear Users,
I am running the final MD of my protein ligand complex in 16 processor
node for 30ns in gromacs455 version. There, in 9th ns it stops and
giving error message like given below. What could be the reason for
this and how to rectify this error.
Any help will be highly appreciated.
Urs,
e info on the GROMACS website.
>
> Cheers,
> EB
>
>
>
>
> Sent from my iPhone
>
> On 19/08/2012, at 5:41 PM, "kirubakaran palani"
> wrote:
>
>> Dear Users,
>>
>> I am running the final MD of my protein ligand complex in 16 processor
>&
Dear All
Could any one help me to solve this error in gromacs 4.5.5 version. I am
running dynamics on apo protein and the protein shows negative charge of -6
(after choosing OPLS-AA force filed) and when i was neutralizing the -6
with +6 and generating the genion.tpr file there it shows "No such
m
Dear All
Could any one help me to solve this error in gromacs 4.5.5 version. I am
running dynamics on apo protein and the protein shows negative charge of -6
(after choosing OPLS-AA force filed) and when i was neutralizing the -6
with +6 and generating the genion.tpr file there it shows "No such
m
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