On 3/7/19 9:56 AM, Quyen Vu wrote:
my question for you: have you ever read gromacs manual/documentation?
Where in the GROMACS manual do we discuss how to use Linux commands to
alter scripts in this way? Please do not simply dismiss others'
questions; it is not productive and not helpful. There are legitimate
cases of users not utilizing documentation and web searching, but I
would argue this is not one of them.
On Thu, Mar 7, 2019 at 1:14 PM Amin Rouy <aminrou1...@gmail.com> wrote:
Hi
I would like to change the temperature of the simulation (NPT.mdp) inside
my bash script, any one has idea?
You can make replacements in files using standard Linux utilities like
sed, in conjunction with others like grep and awk. This isn't a
GROMACS-specific issue, so I'd suggest looking at more general Linux forums.
-Justin
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