Dear Mark<br><br> After doing second step of inflategro i.e compression step when I did the enery minimisation with nstep-10000 in parameter file it terminated after 1547 steps and written that -<br>Converged to machine precision,<br>
but not to the requested precision Fmax < 2000<br><br>Double precision normally gives you higher accuracy.<br><br>writing lowest energy coordinates.<br><br>Steepest Descents converged to machine precision in 1547 steps,<br>
but did not reach the requested Fmax < 2000.<br>Potential Energy = 6.2109662e+05<br>Maximum force = 2.1254887e+04 on atom 6781<br>Norm of force = 7.1093488e+02<br><br>Can u suggest me probable solution of this problem .I am unable to understand why this problem comes?<br>
<br>Thanks a lot<br>Nitu Sharma<br>Structural biology lab<br>School of life Sciences<br>Jawaherlal Nehru University<br>