This is the leap.log file. I have also tried the above two suggestions, but
still not working.
Kindly suggest.
On Fri, Jul 12, 2019 at 3:04 PM Elvis Martis <elvis_bcp.elvismartis.in>
wrote:
> Please use as follows
> source leaprc.water.tip3p
> solvateBox com TIP3PBOX 10.0
> addions com Na+ 6
> saveAmberParm com see-box.inpcrd see-box.prmtop
> Best Regards
> Elvis Martis
>
>
> On Fri, 12 Jul 2019 at 14:48, shivangi agarwal <
> shiviagarwalpharma.gmail.com>
> wrote:
>
> > Hi
> > I have loaded all the parameters mentioned below, then also it is showing
> > error
> > source leaprc.water.tip3p
> > solvateBox com TIP3PBOX 10.0
> > loadoff ions94.lib
> > addions com Na+ 6
> > loadamberparams frcmod.ionsjc_tip3p
> > loadamberparams frcmod.ionsff99_tip3p
> > loadamberparams frcmod.ions1lm_iod
> > loadamberparams frcmod.ions1lm_1264_tip3p
> > loadamberparams frcmod.ions1lm_126_hfe_opc
> > loadamberparams frcmod.ions1lm_126_iod_opc
> > saveAmberParm com see-box.inpcrd see-box.prmtop
> >
> > On Fri, Jul 12, 2019 at 2:45 PM Elvis Martis <elvis_bcp.elvismartis.in>
> > wrote:
> >
> > > You forgot load parameters for ions
> > > source leaprc.water.tip3p
> > > Best Regards
> > > Elvis Martis
> > >
> > >
> > > On Fri, 12 Jul 2019 at 14:21, shivangi agarwal <
> > > shiviagarwalpharma.gmail.com>
> > > wrote:
> > >
> > > > While saving prmtop and inpcrd, after solvation and addition of
> > ions(Na+
> > > > 6), I am getting error as
> > > >
> > > > saveAmberParm com see-box.inpcrd see-box.prmtop
> > > > Checking Unit.
> > > > Building topology.
> > > > Building atom parameters.
> > > > Error: For atom (.R<Na+ 9705>.A<Na+ 1>) could not find vdW (or other)
> > > > parameters for type (IP)
> > > > Error: For atom (.R<Na+ 9706>.A<Na+ 1>) could not find vdW (or other)
> > > > parameters for type (IP)
> > > > Error: For atom (.R<Na+ 9707>.A<Na+ 1>) could not find vdW (or other)
> > > > parameters for type (IP)
> > > > Error: For atom (.R<Na+ 9708>.A<Na+ 1>) could not find vdW (or other)
> > > > parameters for type (IP)
> > > > Error: For atom (.R<Na+ 9709>.A<Na+ 1>) could not find vdW (or other)
> > > > parameters for type (IP)
> > > > Error: For atom (.R<Na+ 9710>.A<Na+ 1>) could not find vdW (or other)
> > > > parameters for type (IP)
> > > > Warning: Parameter file was not saved.
> > > >
> > > > Can anyone suggest?.
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Received on Fri Jul 12 2019 - 04:30:03 PDT
