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 - 02:30:03 PDT
