[gmx-users] Stochastic dynamics (sd)

Alex alexanderwien2k at gmail.com
Sat Mar 31 02:01:52 CEST 2018

Dear all,

I used the Stochastic dynamics (sd) integrator for single molecule in gas
phase for around 80 ns (I need this for bonding parameter course-grained
particularization using votca), would you please have a look at the
sturcure before and after SD, and help me underestand why this happens? And
how one can avoid that.
And also, if it is necessary to use SD in this step of CG parameterization
if you are familiar with votca by chance.



Thank you.

Best regards,

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