DIY solution:
You can calculate the location of the carbon relatively to a plane
defined by three of the atoms bound to the carbon. To be on the safe
side, also calculate on which side the fourth atom is located (should
be the same as the carbon).
- Daniel
On May 20, 2008, at 13:19, [EMAIL PROTECTED] wrote:
dear gromacs user,
i am doing simlation of a small molecules which have chiral corbon.
i want
to chechk whethere the chirality maintaned during simulation or
not, any
one sugest me how to check it.
thanks
sanjay
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---
Daniel Larsson
Molecular Biophysics group
Department of Cell and Molecular Biology
Uppsala University
+46-18-471 4006 (phone)
+46-18-511 755 (fax)
http://xray.bmc.uu.se/~larsson
[EMAIL PROTECTED]
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