gromacs 按照教程进行MD模拟报错 - 分子模拟 - Gromacs/Amber/NAMD

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$  gmx grompp -f martini_md.mdp -c minimized.gro -p dppc.top -o dppc-md.tpr
在输入这句后报错，错误信息如下
Executable: /usr/local/gromacs/bin/gmx
Data prefix:  /usr/local/gromacs
Working dir:  /home/boy/package/DPPC
Command line:
  gmx grompp -f martini_md.mdp -c minimized.gro -p dppc.top -o dppc-md.tpr

Ignoring obsolete mdp entry 'title'
Ignoring obsolete mdp entry 'ns_type'
Replacing old mdp entry 'nstxtcout' by 'nstxout-compressed'
Replacing old mdp entry 'xtc_precision' by 'compressed-x-precision'

WARNING 1 [file martini_md.mdp]:
  The Berendsen barostat does not generate any strictly correct ensemble,
  and should not be used for new production simulations (in our opinion).
  For isotropic scaling we would recommend the C-rescale barostat that also
  ensures fast relaxation without oscillations, and for anisotropic scaling
  you likely want to use the Parrinello-Rahman barostat.

Setting the LD random seed to -1883248777

Generated 0 of the 780 non-bonded parameter combinations

Excluding 1 bonded neighbours molecule type 'DPPC'

Excluding 1 bonded neighbours molecule type 'W'

Velocities were taken from a Maxwell distribution at 320 K
Analysing residue names:
There are: 896    Other residues
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group DPPC is 4606.00
Number of degrees of freedom in T-Coupling group W is 2303.00

Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 323 K

Calculated rlist for 1x1 atom pair-list as 1.414 nm, buffer size 0.314 nm

Set rlist, assuming 4x4 atom pair-list, to 1.288 nm, buffer size 0.188 nm

Note that mdrun will redetermine rlist based on the actual pair-list setup

This run will generate roughly 22 Mb of data

There was 1 warning

-------------------------------------------------------
Program:    gmx grompp, version 2022
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 2645)

Fatal error:
Too many warnings (1).
If you are sure all warnings are harmless, use the -maxwarn option.

For more information and tips for troubleshooting, please check the GROMACS
website at https://www.gromacs.org/Documentation/Errors
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