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
LAAS-CNRS
Toulouse, France
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Received on Sun Jun 03 2007 - 06:07:34 PDT
