AMBER Archive (2009)
Subject: [AMBER] "extra points" incompatibility with pmemd
From: mousumi (mousumi_at_mmb.pcb.ub.es)
Date: Wed Oct 21 2009 - 02:57:51 CDT
I am trying to simulate a system containing DNA and ions using PMEMD. The
system has been solvated using the frcmod.tip4pew forcefield and TIP4PEWBOX
water box. After the normal minimization and equlibration with "sander"
when I am going for the MD production run, its giving me the error "PMEMD
cannot process prmtop files with extra points data! Please use sander 9.0
instead" and then stopped running. Please let me know what I should do to
avoid the error.
Thanks in advance,
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