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
发件人： Carlos Simmerling
发送时间： 2010-03-23 22:24:59
收件人： AMBER Mailing List
抄送：
主题： 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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>
>
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Received on Tue Mar 23 2010 - 08:00:03 PDT
