Dear Amber users
I am trying to understand how to add distance restraint between the back
bone protein atom and ligand atoms in amber. Could anyone please help me to
understand and run it?
I used rst in cpptraj to make nap.dist as mentioned in:-
https://amberhub.chpc.utah.edu/rst/
cpptraj log is as below:-
# 08/14/21 20:54:56
parm complex_wild.prmtop
reference complex_wild.inpcrd
rst :491.C19 :145.O reference offset 3.85 rk2 10.0 rk3 10.0 out nap.dist
run
quit
After this, I used makeDIST_RST as below as mentioned in the tutorial
http://ambermd.org/tutorials/advanced/tutorial4/
makeDIST_RST -upb nap.dist -pdb complex.pdb -rst RST.dist
But I get the following:-
# makeDIST_RST
Currently configured for up to 50000 atoms
ERROR can't open map file ./map.DG-AMBER for reading.
Could you please give me suggestions on how can I add distance restraint
correctly. I could not understand in the amber manual.
Regards
Sadaf
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Received on Mon Aug 16 2021 - 01:00:03 PDT
