AMBER Archive (2004)

Subject: AMBER: Can anybody help me with CHARMM

From: Gabbar Daaku (gabbarsinghdaaku_at_yahoo.com)
Date: Sun Feb 22 2004 - 21:13:09 CST

Hi,

Since this list has lot of smart molecular modelers, I
was wondering if somebody can help me with a CHARMM
problem.

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 apologize for any inconvenience.

Thanks,

GSD

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