Hello,
I have been trying to figure out why I'm getting this message. I
looked over this site
http://chemistry.csulb.edu/ffamber/index.html#usage
But could not figure out why I'm getting this error. I'm running
pdb2gmx_d.exe -ff amber03
WARNING: atom H is missing in residue LYSH 124 in the pdb file
You might need to add atom H to the hydrogen database of residue LYSH
in the file ff???.hdb (see the manual)
WARNING: atom HA is missing in residue LYSH 124 in the pdb file
You might need to add atom HA to the hydrogen database of residue LYSH
in the file ff???.hdb (see the manual)
WARNING: atom HB1 is missing in residue LYSH 124 in the pdb file
You might need to add atom HB1 to the hydrogen database of residue LYSH
in the file ff???.hdb (see the manual)
--
Jack
http://www.facebook.com/home.php#/profile.php?id=832713248
http://hydrogenathome.org
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