AMBER Archive (2004)

Subject: AMBER: Error in building a molecule

From: anshul_at_imtech.res.in
Date: Mon Apr 05 2004 - 17:01:54 CDT

hi,
I want to generate parameters using antechamber for a molecule which I am
trying to build using xleap. after building the molecules I have manually
entered the atom types in the table using parm99.dat file. after this when
i check the unit, it gives the following message,:

> check x
Checking 'x'.... Checking parameters for unit 'x'. Checking for bond
parameters. Could not find bond parameter for: CB - SH Checking for angle
parameters. Could not find angle parameter: CB - NC - CB Could not find
angle parameter: CB - NC - CB Could not find angle parameter: CB - SH - CT
Could not find angle parameter: NC - CB - NC Could not find angle
parameter: NC - CB - SH Could not find angle parameter: NC - CB - NC Could
not find angle parameter: CB - NC - CB Could not find angle parameter: NC
- CB - NC Could not find angle parameter: NC - CB - SH Could not find
angle parameter: CT - N* - H Could not find angle parameter: CT - N* - H
There are missing parameters. Unit is OK.
>

Can anyone tell what else do i need to do.
Thanks for any suggestions, With regards,
Anshul

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