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这是我的命令
echo 6 | gmx pdb2gmx -f rec.pdb -o rec_processed.gro -ignh 1 #选择的AMBER99SB-ILDN 力场
gmx editconf -f rec_processed.gro -o newbox.gro -bt cubic -d 1.0
gmx solvate -cp newbox.gro -cs spc216.gro -p topol.top -o solv.gro
在最后一个命令时,有一个警告
Initialising inter-atomic distances...
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, that this functionality may
be removed in a future GROMACS version. Please, consider
using another file format for your input.
想问一下各位老师,这个警告怎么才能解决。
rec.pdb是一个蛋白,没有其他的非标准氨基酸
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