On Mon, Nov 18, 2013 at 11:11 PM, Justin Lemkul wrote:
>
>
> On 11/18/13 5:05 PM, Hari Pandey wrote:
>
>> Dear Dr. Tsjerk,
>> Many many thanks for your help. This makes me some sense but still I am
>> confused about that you indicated me to look out the gromacs/share
>> directory. In my gromacs
On 11/18/13 5:05 PM, Hari Pandey wrote:
Dear Dr. Tsjerk,
Many many thanks for your help. This makes me some sense but still I am
confused about that you indicated me to look out the gromacs/share directory.
In my gromacs, I have following directory tree:
gromacs/share/gromacs/top
I did not
Dear Dr. Tsjerk,
Many many thanks for your help. This makes me some sense but still I am
confused about that you indicated me to look out the gromacs/share directory.
In my gromacs, I have following directory tree:
gromacs/share/gromacs/top
I did not found a format. I am wandering what could be
Hi Hari,
The .pdb file you use as input has no masses listed. Editconf then resorts
to a file called atommass.dat. You can check the format in the gromacs
share directory and put a file in the same format in the working directory.
Alternatively, you can make a run input file (.tpr) of your system
Dear Gromacs users:
I am hanging on the problems with editconf: can any one , please help me:
my problem is editconf displays wrong value of mass of input:
In Last post JUSTIN pointed out that he got correct value, while he run , but
let me post all about my problem:
My atomtypes.atp has only tw
