AMBER Archive (2006)

Subject: AMBER: problem about Distance Restraints.

From: Qingning Shu (qshu_at_mail.rx.uga.edu)
Date: Tue Jul 11 2006 - 22:38:48 CDT

Dear Amber:
I am planing to run a Dynamics with distance restraint between ligand and protein. since my ligand is not standard. I created a new MAP file map.own (add the ligand to the default map file $AMBERHOME/dat/map.DG-AMBER). When I tried to run "makeDIST_RST -ual 8col.wc -pdb my.pdb -map map.own -rst RST.wc", I got a error message. It read "
# makeDIST_RST
Currently configured for up to 5000 atoms
Using MAP file map.own
Assertion failed: nat < MAXATOMS, file makeDIST_RST.c, line 675
Abort (core dumped)
"
Is my pdb file too big (it is more than 5000 atoms) or something wrong with my map file? What should I do about it?
Thank you in advance.

SHU

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