Since you have added the co-ordinayes of jz4 into the CONF.GRO. Therefore
to reflect this change you have to increment the second line of conf.gro so
that it shows total atoms of the system means protein+ ligand.
On Mon, Jan 4, 2016 at 2:57 PM, soumi wrote:
> Respected
On 1/4/16 4:27 AM, soumi wrote:
Respected Sir,
I am new user of gromacs. When I use the following command
gmx grompp -f ions.mdp -c 1aki_solv.gro -p topol.top -o ions.tpr
I get the following error :Number of coordinates in coordinate file does not
match topology file.
Please
Respected Sir,
I am new user of gromacs. When I use the following command
gmx grompp -f ions.mdp -c 1aki_solv.gro -p topol.top -o ions.tpr
I get the following error :Number of coordinates in coordinate file does not
match topology file.
Please tell me how can I correct the number
in OPLS ff when i use tip3p water i got this error but if tip3p selected
then there no problem and it's interesting!
On Mon, Jan 4, 2016 at 2:18 PM, Justin Lemkul wrote:
>
>
> On 1/4/16 4:27 AM, soumi wrote:
>
>> Respected Sir,
>>I am new user of gromacs.
On 1/4/16 8:20 AM, masoud keramati wrote:
in OPLS ff when i use tip3p water i got this error but if tip3p selected
then there no problem and it's interesting!
This comment makes no sense. Changing water models (presumably that is what you
mean, and just typoed it) will not work unless