Dear Amber Users,
I want to carry out resp fitting for a 3-prime residue of INOSINE, which would be placed as a terminal residue in a RNA strand.
I have calculated the esp charges (in Gaussian 03) for this residue without putting any capping agent.
I used the command " espgen -i G.log -o esp.out " to get esp.out file.
But when I used the command " $AMBERHOME/exe/resp -o -i resp.in -o resp.out -e esp.out " , I got a error message " Unknown flag"
Kindly help me out, and also suggest me whether I need to use a capping agent for this residue or not. Presently I am not considering to use R.E.D server for resp charges for my work as I want to calculate them manually.
Thanking in Advance
Gunajyoti Das (RA)
NEHU, INDIA
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Received on Sat Nov 05 2011 - 06:00:03 PDT
