Thank Rhonda for responding. However, when I altered the prepin file, for
exmple
A line generated by antechamber:
19 C1 ca M 17 ....
I altered to
19 C1 cb M 17 ....
Then parmchk had problem to recognize cb. It even ask to revise the mass of
cb in the frcmod file generated, like
cb 0.000 0.000 ATTN, need revision
So why cb, cc, n*, nc are in parm99.dat and do not work here?
Thank you.
Yong
-----Original Message-----
From: Rhonda Torres [mailto:torres.scripps.edu]
Sent: Wednesday, August 13, 2003 3:38 PM
To: amber.scripps.edu
Subject: Re: AMBER: Atom type in prepin file
Hi Yong,
Antechamber only uses the chemical symbol (C, O, H, etc.) that
corresponds to the atom number of your purine-like compound.
You will likely have to appropritately alter the Antechamber generated
file prior to import into leap (prepin).
Rhonda
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