[gmx-users] oscillational period problem in Martini force field
Du Jiangfeng (BIOCH)
j.du at maastrichtuniversity.nl
Fri Apr 13 13:05:36 CEST 2012
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,
Jiangfeng Du, PhD Student
Cardiovascular Research Institute Maastricht
Department of Biochemistry
P.O. Box 616
6200 MD Maastricht
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