[gmx-users] Energy minimization - single/double precision

[Kavyashree M]

Dear Gromacs users,

    I wanted to know whether it is correct doing minimization
in double precision and rest all -  pdb2gmx, editconf, genbox,
grompp and mdrun itself in single precision.
    I had got convergence during energy minimization using double
precision but not single precision (input files for both were same
and prepared using single precision).

Thanks in advance
MKS
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110113/899b1d9e/attachment.html>