VMD-L Mailing List

From: Paul Darwen (darwen_at_protagonist.com.au)
Date: Wed Feb 19 2003 - 01:58:36 CST

I see that psfgen (and CHARMM and NAMD) have an odd way of
lettering residues. For example, what the PDB calls HIS
becomes either HSD or HSE and the positive version HIS+
becomes HSP.

I have some files with ARG+ and LYS+ residues, and I can't
seem to find the psfgen (and CHARMM and NAMD) equivalent.
I'm assuming they have something similar to HIS/HSD/HSE/HSP

I'ved tried ARP and AGP similar variations, but psfgen still
chokes on these.

Anyone know what psfgen calls ARG+ and LYS+ in the same way
that it calls HIS+ HSP?

Thanks in advance.

- Paul
__________________________________________________________________

Dr. Paul Darwen www.protagonist.com.au/darwen
Protagonist Pty Ltd darwen_at_protagonist.com.au
11 Lang Parade Phone: +61-7-3377-0304
Brisbane 4064 Australia Fax: +61-7-3377-0333
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