Dear Amber users,
I have problem with Anal starting. I use the following command :
anal -O -i analin -o analout -p top -c crd.
My analin is:
IOPT 'ENERGY'
1, 1, 1, 0, 2, 1,
1, 2, 3, 90,
1, 0, 0, 0, 0, 0,
0, 2.0, 2.0, 1.0,
1, 1, 1, 2, 3, 4, 5, 6, 7, 8, 9
TITLE protein
RES 1 258
END
TITLE ligand
RES 259 259
END
END
END
It reads only parameters without groups and stops. What I should do?
May be my input is uncorrect. Could you to send me the example of working
analin-files? Do I need in refc-files for group
reading? If so how can I form it ?
Many thanks for your kindness.
Sincerely Yours,
Irina
mailto:tikiri_at_qsar.chem.msu.su
Received on Wed Dec 05 2001 - 10:50:43 PST
