AMBER: rms in nmode

From: Marie Brut <>
Date: Fri, 1 Jun 2007 09:22:22 +0200 (CEST)

Dears users,

After a minimization reached with a drms of 10-5 with sander, I try to make a
normal mode analysis with Nmode. But I get the message :
Root-mean-square gradient of input coords is 3.7924497503677114
This is greater than the requested maximum: 1.0E-5

I've already read the FAQ and the archive, but I don't find any explanation
which seems to be linked...

Can you tell me what is exactly the "Root-mean-square gradient of input coords"
Does it mean my calculation is wrong ? Can I obtain the good modes despite this
message ?

Thanks a lot for your help,

Marie Brut
PhD student
Toulouse, France

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Received on Sun Jun 03 2007 - 06:07:34 PDT
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