[gmx-developers] implicit solvent

晓英 xiaoyingw11 at 163.com
Thu Jul 14 05:48:16 CEST 2011

Dear developers,
  I'm doing implicit solvent in gromacs 4.5.2 with amber03 force field but it appears some problem. 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. I have send a email to gmx-users but there is not a good solution. Is there a problem in the parameter settings? Can you give me some advice of  my mdp file ? mdp file is in the attachment. Thank you very much!
Best wishes!
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