Re: cgmd stability

From: wang (
Date: Thu Feb 19 2009 - 03:15:56 CST

Dear all,
I used the rbcg-2009.par and rbcg-2009.par to simulate my system
including 300 AAs and 5000 TIP3 .
When the timestep was great than 10 (fs/step), my system was broken and
the error message(the atom moving
too fast ......) was appeared. Then I changed the timestep value and the
value was equal to 5. And my system is still
running and stable. Anyone could tell me how the limit of timestep with
rbcg-2009 parameters ?
Y.T Wang

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