[gmx-users] Simulated Annealing-SINGLE precession

[chandran karunakaran]

Dear GMX users,

  We are interested in Simulated Annealing
MD for Spep in the tutorial. We tried 
using single precession (GMX version 3.2.1
in Lunux), we got segmentation
fault. But in double precession, there is
no error obtained. Do we need to run in 
only double precession? Is it possible to
to run in SINGLE precession mode? If
possible, kindly give us protocol for 
the same.

With thanks
Dr.C.Karunakaran
Mr.S.Vidhyasankar


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