AMBER Archive (2009)

Subject: Re: [AMBER] Problem reading PDB file into XLEAP - SLEAP

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sun Mar 29 2009 - 13:37:35 CDT

On Sun, Mar 29, 2009, Hopkins, Robert wrote:

> Without loading any
> coordinate files, I tried sleap followed by
> source leaprc.ff99bsc0
> to which I got the response:
> Error: can not find file leaprc.ff99bsc0 in all the search path

Works for me. Is your AMBERHOME environment variable set correctly?
Wei: sleap should probably print out the search path when emitting an
error message like the one above.

> Then, I tried:
> source /usr/local/amber10/dat/leap/cmd/leaprc.ff99bsc0
> to which I got the responses:
> Error: can not get bond for the given two atoms: CA H5
> Error: can not find atom C in molecule
> Error: can not find file frcmod.parmbsc0 in all the search path

This is probably the same search path problem as above. And, I don't
see this behavior, so you might make sure you have the latest version of
sleap (AmberTools 1.2), if the AMBERHOME variable is not the problem.

...dac

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