Hi,
Thanks, merging commands into one line helped.
Regarding versions,I tried versions 1.1.1 and 2.6.1. Problem occurs in
both.
Best wishes,
Marek
On Sat, Feb 4, 2017 at 11:03 PM, Pengfei Li <ambermailpengfei.gmail.com>
wrote:
> Hi Marek,
>
> Which version of AmberTools did you use? You can also try "add12_6_4
> .Na+,Cl- watermodel SPCE" this command (merge the two commands together),
> and please let me know whether it works.
>
> Kind regards,
> Pengfei
>
> > On Feb 4, 2017, at 3:41 PM, Marek Havrila <ma.havrila.gmail.com> wrote:
> >
> > Dear AMBER users,
> >
> >
> > I spot following error:
> >
> > parmed does not write correct topology after adding CCOEF of multiple
> atoms.
> > When I use next commands:
> >
> > parm A.parm
> > add12_6_4 .Na+ watermodel SPCE
> > add12_6_4 .Cl- watermodel SPCE
> > outparm B.parm
> >
> > B.parm contains CCOEF of Cl- only. Na+ is thus incomplete. It seems that
> > later command overwrite CCOEF field without preserving changes of earlier
> > add12_6_4 command. There is no error message or any indication of this
> > problem in output.
> >
> > I need to set up simulation with NaCl.
> >
> >
> > Kind regards,
> > Marek Havrila
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
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Received on Sat Feb 04 2017 - 14:30:03 PST
