AMBER Archive (2004)

Subject: AMBER: sander error

From: Xiao He (hx_at_itcc.nju.edu.cn)
Date: Sat Oct 30 2004 - 01:49:17 CDT

Dear amber users,

My crd and top files are from tleap

Minimization with Cartesian restraints for the solute
 &cntrl
  imin=1,ncyc=30,maxcyc=1000,
  ntpr=5,
  ntr=1,
 &end
Group input for restrained atoms
100.0
RES 1 927
END
END

--------------------------------------------------------------------------------
   1. RESOURCE USE:
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| Flags:
 getting new box info from bottom of inpcrd
| peek_ewald_inpcrd: Box info not found in inpcrd

Thanks!

　　　　　　　　Xiao He
　　　　　　　　hx_at_itcc.nju.edu.cn
　　　　　　　　　　2004-10-30

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