Sent: Tuesday, February 28, 2017 9:18 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] ERROR IN BASH SCRIPTING
Hi,
This is not about the logical windows in your system. I'm talking about
your operating system Microsoft Windows. Using cygwin means you have to
handle the intricacies of havin
list.sys.kth.se> on behalf of Mark
> Abraham
> Sent: Tuesday, February 28, 2017 2:31 PM
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] ERROR IN BASH SCRIPTING
>
> Hi,
>
> Looks like you edited on Windows last. Use dos2unix now, or a proper text
> editor next
on behalf of Mark Abraham
Sent: Tuesday, February 28, 2017 2:31 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] ERROR IN BASH SCRIPTING
Hi,
Looks like you edited on Windows last. Use dos2unix now, or a proper text
editor next time ;-)
Mark
On Tue, 28 Feb 2017 08:14 Subashini .K wrote
Hi,
Looks like you edited on Windows last. Use dos2unix now, or a proper text
editor next time ;-)
Mark
On Tue, 28 Feb 2017 08:14 Subashini .K wrote:
> Hi gromacs users,
>
>
> I use the following run.sh in the working directory of simulations
>
>
> #!/bin/bash
> set -e
>
> for ((i=0;i<27;i++))
Hi gromacs users,
I use the following run.sh in the working directory of simulations
#!/bin/bash
set -e
for ((i=0;i<27;i++)); do
x=$(echo "0.05*$(($i+1))" | bc);
sed 's/WINDOW/'$x'/g' mdp/min.mdp > grompp.mdp
gmx grompp -o min.$i -pp min.$i -po min.$i -n index.ndx
gmx mdrun -
