[gmx-users] virtual site - algorithmic reasons
Samith Rathnayake
samithzzz1 at gmail.com
Thu Mar 31 12:06:28 CEST 2016
Hi everyone,
Recently i was used to started Bevan Lab tutorial and gone through
specially with virtual site tutorial.In this tutorial Dr.Justin emphasized
that co2 cannot effectively build in traditional sense because of
algorithmic reasons. And cant hold 180 degree during a simulation.Could
any one elaborate what are this "algorithmic reasons" ? any publication
upon this virtual site techniques in any gromos force field? and also about
this algorithmic reasons ? And if it is okey to used this virtual site
techniques in gromacs 4.6.5 version ?
thank you in advance
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