What do you think the issue is?
What the note states there is that it will not print out the following
summary section at the end of the log file:
R E A L C Y C L E A N D T I M E A C C O U N T I N G
On 1 MPI rank, each using 28 OpenMP threads
Computing: Num Num Cal
On 9/23/18 12:11 PM, AKANXA TIWARI wrote:
Hi
During simulation of protein after giving grompp ions command i got a note
what should i do.
NOTE 3 [file ions2.mdp]:
You are using a plain Coulomb cut-off, which might produce artifacts.
You might want to consider using PME electrostatics.
In your .mdp file ...in cut-off you mention PME...
On Sun, Sep 23, 2018, 9:42 PM AKANXA TIWARI
wrote:
> Hi
> During simulation of protein after giving grompp ions command i got a note
> what should i do.
> NOTE 3 [file ions2.mdp]:
> You are using a plain Coulomb cut-off, which might produce a
Hi
During simulation of protein after giving grompp ions command i got a note
what should i do.
NOTE 3 [file ions2.mdp]:
You are using a plain Coulomb cut-off, which might produce artifacts.
You might want to consider using PME electrostatics.
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In many cellular signaling pathways in cancer cells, the expression of many
genes rises. One result of this excessive expression is cellular traffic
and unwanted interactions between proteins. Therefore, it is important to
examine the interactions and identify the amino acids involved in the
intera
