Hi again!
I solved it with installing gromacs again by compiling the source files
instead of installing the RPM. Maybe something is wrong in the Mandriva
RPM (called gromacs-3.3.1-1mdv2007.0 in the list of available packages
in Mandriva drakrpm program)?
Now it seems to work very well then!
Edvin Erdtman wrote:
Which compiler did you use?
This maybe says more:
$ file /usr/bin/g_dist
/usr/bin/g_dist: ELF 32-bit LSB executable, Intel 80386, version 1
(SYSV), for GNU/Linux 2.6.9, dynamically linked (uses shared libs),
stripped
I copied the file to another machine. And there g_di
Edvin Erdtman wrote:
Hi again...
How can we tell? You haven't given us your command line, or a
meaningful chunk of output.
my command:
g_dist -f traj.xtc -n index.ndx -s topol.tpr
The output:
---
Select a group: 0
Selected 0: 'DPPC'
Select a group: 1
Selected 1: 'AL'
Reading frame 0
Which compiler did you use?
This maybe says more:
$ file /usr/bin/g_dist
/usr/bin/g_dist: ELF 32-bit LSB executable, Intel 80386, version 1
(SYSV), for GNU/Linux 2.6.9, dynamically linked (uses shared libs), stripped
-Edvin
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David van der Spoel skrev:
Edvin Erdtman wrote:
Hi again...
How can we tell? You haven't given us your command line, or a
meaningful chunk of output.
my command:
g_dist -f traj.xtc -n index.ndx -s topol.tpr
The output:
---
Select a group: 0
Selected 0: 'DPPC'
Select a group: 1
Selected
Edvin Erdtman wrote:
Hi again...
How can we tell? You haven't given us your command line, or a
meaningful chunk of output.
my command:
g_dist -f traj.xtc -n index.ndx -s topol.tpr
The output:
---
Select a group: 0
Selected 0: 'DPPC'
Select a group: 1
Selected 1: 'AL'
Reading frame 0
Hi again...
How can we tell? You haven't given us your command line, or a
meaningful chunk of output.
my command:
g_dist -f traj.xtc -n index.ndx -s topol.tpr
The output:
---
Select a group: 0
Selected 0: 'DPPC'
Select a group: 1
Selected 1: 'AL'
Reading frame 0 time0.000
Back
Edvin Erdtman wrote:
Hi
I am doing MD-calculations on double layer lipid membranes. When I
wanted to calculate the distance between the com. of the lipids and my
molecule with g_dist, the program just stops! Sometimes directly and
sometimes after a couple of picoseconds. When checking the out
Hi
I am doing MD-calculations on double layer lipid membranes. When I
wanted to calculate the distance between the com. of the lipids and my
molecule with g_dist, the program just stops! Sometimes directly and
sometimes after a couple of picoseconds. When checking the output it can
end like t
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