hello:
I finished a MD and it generate a .gro file: confout.gro
However, I find that there is some problems:
editconf -f confout.gro -o md.pdb
it said:
Program grompp, VERSION 4.5.5
Source code file: confio.c, line: 801
Fatal error:
Something is wrong in the coordinate formatting of file md.gro. Note
that gro is fixed format (see the manual)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
"If You Want Something Done You Have to Do It Yourself" (Highlander II)
However, I can open it with VMD without no problem. But if I try to do
it with gromacs, similiar errors happen.
grompp -f myMD.mdp -c md.gro -p complex.top -o md2.tpr
Program grompp, VERSION 4.5.5
Source code file: confio.c, line: 801
Fatal error:
Something is wrong in the coordinate formatting of file md.gro. Note
that gro is fixed format (see the manual)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
"Carry Me Away" (Motors)
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