[gmx-users] Can anybody help me with CHARMM

Gabbar Daaku gabbarsinghdaaku at yahoo.com
Mon Feb 23 04:09:01 CET 2004


Since this list has lot of smart molecular modelers, I
was wondering if somebody can help me with a CHARMM
I am trying to create a topology file for solvated
protein, which has two chains (A 1-178 and B 1-23) and
some water molecules in X-ray structure. Can somebody
help me offline to get a PSF file. I have tried hard
but couldn't get it to work and CHARMM documentation
and tutorials are not friendly for beginners.

I apology for any inconvenience.



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