belly and EWALD in amber7

From: Zhang Jian <>
Date: Sat 9 Nov 2002 19:04:14 -0800 (PST)

Dear AMBER users,

I use belly to do a equilibration of a protein in
water, then got a warning in my output file, it reads,
Warning, Although EWALD will work with belly (for
equilibration), it not strictly correct!
does this warning matter? how to correct it?

here is my file
minimize structure
    imin=1, ibelly=1, ntr=0, ntb=2, ntc=1, ntf=1,
    ntp=1, pres0=1.0, taup=0.2,
    ntx=1, ntpr=1, ntwr=1,
    maxcyc=10, ncyc=20,
Belly minimization, only allow water to relax
RES 37 1186

Thank you in advance.

Jian Zhang, Dr

Jian Zhang, Dr
Institute for Biophysics
Nanjing University
22 Hankou Road, Nanjing 210093
P. R. China
Tel: 86-25-3594476
Fax: 86-25-3595535

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Received on Sat Nov 09 2002 - 19:04:14 PST
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