Hi, I'm doing implicit solvent in gromacs 4.5.2 with amber03 force field .I have done energy minimization .Then mdrun in NVT,but there is always LINCS error .When I make impolicit_solvent=no,it can run successfully. Is there a problem in the parameter settings? How can I solve the problem? Step 49, time 0.049 (ps) LINCS WARNING relative constraint deviation after LINCS: rms 56.816425, max 1019.791504 (between atoms 2943 and 2942) bonds that rotated more than 30 degrees: atom 1 atom 2 angle previous, current, constraint length 2913 2912 90.1 0.1093 62.1434 0.1093 2920 2919 91.3 0.1093 4.7180 0.1093 2943 2942 90.1 0.1895 99.4251 0.0974 Wrote pdb files with previous and current coordinates
mdp file is in the attachment.
md.mdp
Description: Binary data
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