Hi amber users,
I am not sure if this question was asked before, if yes, sorry for
repeating it, could not find an answer on the e-mail list.
I want to print out in my output file when running minimization the
information related to the non-bonded list updates (nsnb=10). However
there's no information printed out, something similar to
NB-update: NPAIRS = .... HBPAIR = ..
The manual says that NSNB only works when igb =0 and the nbflag =0.
Initially I did not set values for these two variables as their defaults
are zero (at least for igb). When I put them explicitly in my input file
it seems that the program does not recognize the variable NBFLAG
********
lib-4324 : UNRECOVERABLE library error
The variable name 'NBFLAG' is unrecognized in namelist input.
********
Also the manual has no information related to this variable.
I am using version 7.0 of amber. Was this variable removed compared to
older versions?
Thank you,
Ioana
****************************************************************************
* Ioana Cozmuta * *
* NASA-AMES Research Center * "Gravitation can not be held responsible*
* Mail Stop 230-3 * for people falling in love" *
* Moffet Field * *
* phone: (650) 604-0993 * Albert Einstein*
* fax: (650) 604-0350 * (1879-1955) *
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Received on Wed Nov 06 2002 - 19:19:26 PST
