AMBER Archive (2000)

Subject: (no subject)

From: Peter Gannett (pgannett_at_hsc.wvu.edu)
Date: Wed Jun 14 2000 - 21:39:18 CDT

Amber users:

We are using the sander_classic module of AMBER6 to equilibrate and run production
 dynamics on a sovated, ionized DNA. I was using control files previously used
 successfully with AMBER5. Everything seemed normal during the equilibration process
 except the trajectory files were empty. NTWXM was set to 999999, it is my understanding
 that this would keep NTWX active for 999999 steps. Disabling NTWXM (setting it to zero),
 gave me trajectory files but I don't understand why settin NTWXM to 999999 deactivated
 NTWX. Is this an AMBER6 thing?

Pete Gannett
West Virginia University