[gmx-users] vdwradii issue
bdmkhtn at yahoo.com
Wed Apr 20 20:01:29 CEST 2016
Currently i'm having this kind of sticky warning when i am doing gmx solvate or gmx editconf (ff was charmm and oplsa). However i copied vdwradii.dat in my working directory, or use -vdwread flag still get this warning..Please how to get rid off of this Warning!
WARNING: Masses and atomic (Van der Waals) radii will be guessed based on residue and atom names, since they could not be definitively assigned from the information in your input files. These guessed numbers might deviate from the mass and radius of the atom type. Please check the output files if necessary.
NOTE: From version 5.0 gmx uses the Van der Waals radiifrom the source below. This means the results may be differentcompared to previous GROMACS versions.
Please give a some help! Thanks. (Im using gromacs/5.1.1 version)
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