AMBER: problem regarding implicit simulation

From: gurpreet singh <>
Date: Mon, 23 Apr 2007 11:46:35 +0530

Hello Amber users

i m using Amber 9 to carry out implicit simulation of a protein molecule
containing around 3000 atoms but i found that the mini. or equi. in implicit
solvent is much slower than the mini or the explicit solvent , i
think for this much no of atoms the simulationshud be faster the explicit ,
please tell me the reason for this unusual behaviour

following are the input files i m using :
for mini.


for equi.



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Received on Wed Apr 25 2007 - 06:07:13 PDT
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