[gmx-users] leapfrog does not yet support Nose-Hoover chains
xiaowu759 at qq.com
Sun Feb 13 02:36:57 CET 2011
Dear developers and users,
While I run grompp, one note is output: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1. Note that I am using gmx-4.5.3, and leapfrog for integration and Nose-Hoover for temperature coupling. I remember that gmx-4.5.2 or below version does not generate such output note. I wonder if this setup has significant effects on the results. Thanks a lot for any reply.
Chaofu Wu, Dr.
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