Re: Re: [AMBER] error in save prmtop

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 23 Mar 2010 10:32:51 -0400

no i don't think that is an error. are you sure you don't get a prmtop file?
maybe you can share your leap input with us.

On Tue, Mar 23, 2010 at 10:30 AM, geyan <geyan.big.ac.cn> wrote:

> thank you for your reply.
> this is the very end.so in your opinion,message says" Residues lacking
> connect0/connect1 -these don't have chain types marked:
> > res total affected
> > CGLN 1
> > NMET 1
> > WAT 7657
> > )
> > (no restraints)
> is not an error? if not,why does this happen?
> thanks
>
> 2010-03-23
>
>
>
> geyan
>
>
>
> 窟周繁 Carlos Simmerling
> 窟僕扮寂 2010-03-23 22:24:59
> 辺周繁 AMBER Mailing List
> 貝僕
> 麼籾 Re: [AMBER] error in save prmtop
>
> i don't see an error. is this the end of the leap.log file?
> On Tue, Mar 23, 2010 at 10:04 AM, geyan <geyan.big.ac.cn> wrote:
> > hello everyone,I met the unexpected error in saving the prmtop,the
> detailed
> > information is as follows:
> >
> > Checking Unit.
> > ,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
> > Not Marking per-residue atom chain types.
> > Marking per-residue atom chain types.
> > (Residues lacking connect0/connect1 -
> > these don't have chain types marked:
> > res total affected
> > CGLN 1
> > NMET 1
> > WAT 7657
> > )
> > (no restraints)
> >
> > I have searched this problem in google,but got no exact answers.Does
> > anybody met this error before?Is it a fatal problem for the latter
> > minimization and MD analyse?How can I figure out this error?Is it caused
> by
> > the PDB file of my protein structure?
> >
> > appreciated for anybody's help!
> >
> >
> >
> > 2010-03-23
> >
> >
> >
> > geyan
> >
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> > http://lists.ambermd.org/mailman/listinfo/amber
> >
> >
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Received on Tue Mar 23 2010 - 08:00:05 PDT
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