[gmx-users] D-L conversion!

Swetha Vijayakrishan swetha at www.cdfd.org.in
Tue Aug 26 13:50:01 CEST 2003

hi all,

I had run a 2 nanosecond MD using Charmm.
Now i find a few of the residues having their chirality changed from L to
D especially the Prolines.
Is this very common in MD? Or have i made some mistake.
Does anybody know how i can rectify this problem without rerunning the MD




Swetha Vijayakrishnan

Project Assistant
C/O Dr.Shekhar.C.Mande
Centre for DNA Fingerprinting and Diagnostics(CDFD),
ECIL Road,Nacharam,
Hyderabad - 500076

Phone:: Direct: 91-040-7171442
        Indirect: 91-040-7151344/46/47/56 (lab extn 1400)

Fax  :: 91-040-(7155479-7155610>

Email:: swetha at cdfd.org.in
        swethasenorita at yahoo.com

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