[gmx-users] not referencing ffamber03.hdb

Jack Shultz jshultz at hydrogenathome.org
Mon Mar 23 03:45:30 CET 2009


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



More information about the gromacs.org_gmx-users mailing list