Hi all, I am trying to do a calculation on an artificial line charge in vacuum. The line charge has 267 atoms and each atom has a 1e charge. The atoms are bonded by a bond term and an angle term. I defined the required itp files and top file. When i issue
grompp_jpt -v -c parallel.gro -p chain.top -f nve.mdp I get the following error message. Program grompp_jpt, VERSION 4.5.3 Source code file: grompp.c, line: 175 Fatal error: The largest charge group contains 267 atoms. The maximum is 32. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors What should i try to do to circumvent this error. Thanks
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