Dear Friends,
I am doing MD simulation to a coarse grained system by using martini force
field. According to Martini recommendation, the MD time step should be in 20-40
fs.
Since I selected 20 fs, the warning comes: "estimated oscillational period is
less than 5 times of the time step".
I could erase the warning by decreasing the time step to 8 fs, which is not
recommended by Martini force field.
Here is my question: Should I ignore this warning or decrease time step or
struggle with the protein system (the system seems not to be improved any more)
?
Any reply would be appreciated,
Thank you
Jiangfeng Du, PhD Student
Cardiovascular Research Institute Maastricht
Department of Biochemistry
P.O. Box 616
Mobile: +31-681741859
FAX: +31-43-3884159
6200 MD Maastricht
The Netherlands--
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