On 2/3/15 2:16 PM, Stephen P. Molnar wrote:
Ok. I understand the replys.
I only have a couple of further questions.
A link to grompp is in /usr/local/gromacs/bin.
Why isn't ions.mdp in the run directory and then, where is it?
You download it from the tutorial site.
Ok. I understand the replys.
I only have a couple of further questions.
A link to grompp is in /usr/local/gromacs/bin.
Why isn't ions.mdp in the run directory and then, where is it?
Thanks in advance.
On 02/02/2015 12:29 PM, HANNIBAL LECTER wrote:
It just means you either missed grompp
On 02/03/2015 02:30 PM, Justin Lemkul wrote:
On 2/3/15 2:16 PM, Stephen P. Molnar wrote:
Ok. I understand the replys.
I only have a couple of further questions.
A link to grompp is in /usr/local/gromacs/bin.
Why isn't ions.mdp in the run directory and then, where is it?
You download
On 2/2/15 12:10 PM, Stephen P. Molnar wrote:
I have installed v-5.0.4 in Debian Wheezy without any warning or erroe messages.
I have tried running the Lysozyme in Water Tutorial ( the one written for v-5)
and have generated an error message in Step 4.
The message is:
File input/output
It just means you either missed grompp -f ions.mdp ...
OR
the ions.mdp file is not there in the directory where you are performing
your simulations.
On Mon, Feb 2, 2015 at 12:10 PM, Stephen P. Molnar s.mol...@sbcglobal.net
wrote:
I have installed v-5.0.4 in Debian Wheezy without any warning
