Dear all, I do sander accroding to the tutorial of Biotin/Streptavidin to mininmize the complex using min.in, I got the following message:
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Amber 7 SANDER Scripps/UCSF 2002
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| Sat Apr 24 21:30:14 2004
[-O]verwriting output
File Assignments:
| MDIN: min.in
| MDOUT: min.out
|INPCRD: stbtcap.crd
| PARM: stbtcap.top
|RESTRT: min.rst
| REFC: refc
| MDVEL: mdvel
| MDEN: mden
| MDCRD: mdcrd
|MDINFO: mdinfo
|INPDIP: inpdip
|RSTDIP: rstdip
Here is the input file:
&cntrl
imin=1, maxcyc=100, ntpr=20, scee=1.2, nsnb=999999, ntmin=2,
&end
--------------------------------------------------------------------------------
1. RESOURCE USE:
--------------------------------------------------------------------------------
| Flags: SGIFFT HAS_FTN_ERFC
getting new box info from bottom of inpcrd
| peek_ewald_inpcrd: Box info not found in inpcrd
compute_nfft: failed to get good fft array size
x = 4.4184937307205338E+25
I do not understand the meaning of these error message, hope you can tell me
what I should do. Thanks.
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Received on Sat Apr 24 2004 - 14:53:00 PDT
