AMBER Archive (2007)

Subject: RE: AMBER: REF file problem

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon May 07 2007 - 10:13:58 CDT

Dear Deepti,
 
> restraintmask=1-20
 
This is the wrong format. If you want residues 1 to 20 then this should be:
 
restraintmask=':1-20'
 
if you want atoms 1 to 20 then:
 
restraintmask='@1-20'
 
Good luck...
 
Ross
 
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From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf Of
deepti nayar
Sent: Sunday, May 06, 2007 23:50
To: amber_at_scripps.edu
Subject: AMBER: REF file problem

hi all

thank you so much gustavo for your reply .As per your guidance, i changed my
input script and thus got it working. But now I am encountering one more
problem. the ref file that i am inputting into gives the following error. I
searched the amber archive for this and found out that initial coordinate
file
 doesnt serves as ref file all the time.

can u please tell me now where to get that ref file from to make my script
run.I am attaching my input file and output file.

any help is welcome
with regards
deepti

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