Dear all
l am using gromacs 4.5.5 version for simulation carbon nanotubes with
charmm27 force feild ,there was no error grompp stage,but when l do
simulation of carbon nanotube in tip3p water encountered with
fatal error:
[ file tip3p.itp, line 40]:
Atom index (1) in settles out of bounds (1
Dear all
l am using gromacs 4.5.5 version for simulation carbon nanotubes with
charmm27 force feild ,there was no error grompp stage,but when l do
simulation of carbon nanotube in tip3p water encountered with
fatal error:
[ file tip3p.itp, line 40]:
Atom index (1) in settles out of bounds (1
Hi
order of element?
2018-01-20 15:59 GMT-08:00 Mark Abraham :
> Hi,
>
> Like the message says, you have mishandled the order of the elements of
> your topology. Look at the examples in the documentation.
>
> Mark
>
> On Sun, Jan 21, 2018, 00:40 حلیمه میرسالاری
Dear all
l am using gromacs 4.5.5 version for simulation carbon nanotubes in tip3p
water with charmm27 force feild.
I used grompp for energy minmization,but l encountered with
fatal error:
[ file tip3p.itp, line 40]:
Atom index (1) in settles out of bounds (1-0).
This probably means that you h
