Re: AW: Consistent temperature increase in CUDA runs

From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Tue Feb 28 2012 - 08:40:29 CST

• Next message: Vlad Cojocaru: "Re: AW: Consistent temperature increase in CUDA runs"
• Previous message: Axel Kohlmeyer: "Re: AW: Consistent temperature increase in CUDA runs"
• In reply to: Axel Kohlmeyer: "Re: AW: Consistent temperature increase in CUDA runs"
• Next in thread: Aron Broom: "Re: Consistent temperature increase in CUDA runs"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

I haven't followed the discussion closely, so correct me if I'm wrong (or
off topic). If you use PME-based methods for electrostatics you shouldn't
expect to conserve energy and momentum simultaneously. Maybe the
'zeroMomentum' NAMD flag is relevant to what is being discussed ?

Again apologies if I'm off topic,
Nicholas

-- 
            Nicholas M. Glykos, Department of Molecular Biology
     and Genetics, Democritus University of Thrace, University Campus,
  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/

• Next message: Vlad Cojocaru: "Re: AW: Consistent temperature increase in CUDA runs"
• Previous message: Axel Kohlmeyer: "Re: AW: Consistent temperature increase in CUDA runs"
• In reply to: Axel Kohlmeyer: "Re: AW: Consistent temperature increase in CUDA runs"
• Next in thread: Aron Broom: "Re: Consistent temperature increase in CUDA runs"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Tue Dec 31 2013 - 23:21:41 CST