Hi, I am working on YKGQP peptide sequence. My friend has done a few simulations on the same peptide with some mdp parameters on gromacs 2.0. Now when I try to use the same parameters as he used on gromacs 3.0, I get the following error. I am not able to understand why this error is surfacing when there is no such error in gromacs 2.0. ERROR: rcoulomb must be >= rlist ERROR: rvdw must be >= rlist can anyone explain me why this is happening so. thanking you in advance sista prakash _________________________________________________________ Click below to visit monsterindia.com and review jobs in India or Abroad http://monsterindia.rediff.com/jobs