AMBER Archive (2009)

Subject: [AMBER] MM-PBSA error while running heat.in

From: Vikas Sharma (vs_vikassharma_at_yahoo.co.in)
Date: Mon Apr 06 2009 - 04:32:55 CDT

Dear Amber users & developers
 
I ma using MM-PBSA..
i ma using advanced tutorials 3..the change that i have made is that i have use TIP#PBOX 8.0 instead of 12.0..
Except that i have followed the same tutorial...
when i checked the heat.out file the error is :
     vlimit exceeded for step 34,37
     
     Note: there is some deeper problem with the energetics of the system.
 
Please Help???
 
 

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