Dear Amber users:
I got a problem when I created the .top and .crd files for 1,9 decadiene molecule. I assigned the 'CM' to carbon atom of the C=C double bond and 'HC' for all the hydrogens in the molecule. However when I tried to generate .top and .crd files, the xleap reported that it could not find the 'bond' and 'angle' parameters for CM-HC, CM-CM-HC, CT-CM-HC, etc. My questions are:
1. Did I assign the atom type wrong to the Carbon and hydrogen atoms?
2. What PARAMSETS should I use for 1,9-decadiene?
Thanks,
Yichen
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Received on Wed Aug 20 2003 - 18:53:00 PDT
