On 4/29/20 7:41 PM, Sadaf Rani wrote:
Dear Justin
I have shared the files for the users mailing list on the following link.
https://www.dropbox.com/s/bfaq8z8iqojdm0r/Atom_type_error%20files.zip?dl=0
Remove the blank lines from the end of atomtypes.atp and it works fine.
Note that you should not be including LJ parameters in atomtypes.atp.
Those are for ffnonbonded.itp. The atomtypes.atp file needs only the
atom type and its mass as it is only used by pdb2gmx.
-Justin
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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry
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