Naser, Md Abu wrote:
Hi All,
Dose anyone know any literature regarding comm-mode = Angular option?
This works,however, only with simulations in vacuum. In a water box you
get overlaps at the box boundaries from angular rotations done by the
"comm-mode = Angular" option resulting in lincs warnings...
cheers, jochen
With regards,
Abu Naser
School Of Life Sciences
Heriot-Watt University
Edinburgh EH14 4AS
Email: [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]>
Phone: +44(0)1314518265
Fax : +44(0) 131 451 3009
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************************************************
Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
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