Please check in input file properly, that u have given correct atom number
in MARKED as well as ALASCAN section. or u can write the short detail with
mm_pbsa.in to us.
..Sushil
On Wed, Jun 23, 2010 at 6:25 AM, <lidansa.mail.ustc.edu.cn> wrote:
> Amber10
>
>
> > -----Original E-mail-----
> > From: "Sushil Mishra" <sushilbioinfo.gmail.com>
> > Sent Time: 2010-6-23 0:42:24
> > To: "AMBER Mailing List" <amber.ambermd.org>
> > Cc:
> > Subject: Re: [AMBER] about alanine scanning
> >
> > which version of AMBER are u using ??
> >
> >
> > On Tue, Jun 22, 2010 at 5:47 PM, <lidansa.mail.ustc.edu.cn> wrote:
> >
> > > Dear all:
> > > I use mm_pbsa.pl to perform alanine scaning, and I mutated two
> > > residues to ala. but received the error in alanine_scanning.log below.
> Is
> > > there anyone who has dealt with this issue before? thank you for your
> help!
> > > =>> Checking sanity
> > > Checking GENERAL
> > > Implicit SAS calc by sander
> > > Checking GC
> > > Checking AS
> > > Checking TRAJ
> > > Checking MM
> > > Checking PB
> > > Checking GB
> > >
> > > =>> Creating input
> > > Sander input
> > > PBSA input
> > > make_crd input
> > >
> > > =>> Creating coordinates
> > > Executing makecrd
> > >
> > > Amber8 Module: make_crg_hg
> > >
> > > usage: make_crd_hg < trajectory_file
> > >
> > > Box info found: 73.8120000000000 73.8120000000000
> > > 73.8120000000000
> > > Something wrong with NGR 3139 3149
> > >
> > >
> > > linda
> > >
> > >
> > >
> > >
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> > >
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Received on Wed Jun 23 2010 - 00:00:07 PDT
