The suggestions were very helpful.
Thanks
Chandan
--
Chandan kumar Choudhury
NCL, Pune
INDIA
On Sun, May 30, 2010 at 11:32 PM, Tsjerk Wassenaar wrote:
> Hi Chandan,
>
> The problem is that with floating points the equality in
>
> > if (fr.time == (4000.000 + (50.0 * inc)))
>
> is very unlikel
Hi Chandan,
The problem is that with floating points the equality in
> if (fr.time == (4000.000 + (50.0 * inc)))
is very unlikely to be satisfied at any time. To compare floating
point numbers, you'll have to check whether the value is within a
certain interval. But Jussi's approach is far more
On Sun, 2010-05-30 at 21:43 +0530, Chandan Choudhury wrote:
> Hello all !!
>
>
> I want to execute the statements under if loop after each 50 ps time.
I'd just forget any if clauses in the loop and run the program with -dt
50, which gives the same result.
--
--
Hello all !!
I was playing around with template.c and stuck in a problem.
In the program inside the do loop i.e;
/* This is the main loop over frames */
do {
/* coordinates are available in the vector fr.x
* you can find this and all other structures in
* the types directory unde
Chih-Ying Lin wrote:
HI
To use template.c
1. create a file to put template.c and Makefile.x86_64-unknown-linux-gnu
together
2. under C compiler
=> type the command => make -f Makefile.x86_64-unknown-linux-gnu
=> type the command => cc -O -o template template.c -lm
=> type the comman
HI
To use template.c
1. create a file to put template.c and Makefile.x86_64-unknown-linux-gnu
together
2. under C compiler
=> type the command => make -f Makefile.x86_64-unknown-linux-gnu
=> type the command => cc -O -o template template.c -lm
=> type the command => ./template < template.i
Chih-Ying Lin wrote:
Hi
Following are
1. template.c
2. README
3. Makefile.x86_64-unknown-linux-gnu
In the template.c => it includes several GROMACS headers.
#include "statutil.h"
#include "typedefs.h"
#include "smalloc.h"
#include "vec.h"
#include "copyrite.h"
#include "statutil.h"
#inclu
Chih-Ying Lin wrote:
Hi
Following are
1. template.c
2. README
3. Makefile.x86_64-unknown-linux-gnu
In the template.c => it includes several GROMACS headers.
#include "statutil.h"
#include "typedefs.h"
#include "smalloc.h"
#include "vec.h"
#include "copyrite.h"
#include "statutil.h"
#include
Hi
Following are
1. template.c
2. README
3. Makefile.x86_64-unknown-linux-gnu
In the template.c => it includes several GROMACS headers.
#include "statutil.h"
#include "typedefs.h"
#include "smalloc.h"
#include "vec.h"
#include "copyrite.h"
#include "statutil.h"
#include "tpxio.h"
If I put t
Chih-Ying Lin wrote:
Hi :
I have difficulties to understand the following three files, which are
in Gromacs Package.
1. template.c
This is a template you can modify to make a GROMACS utility that does
something new and interesting.
2. README
This is to read to help you understand.
3.
Hi :
I have difficulties to understand the following three files, which are
in Gromacs Package.
1. template.c
2. README
3. Makefile.x86_64-unknown-linux-gnu
Please tell me if I have to do part 3 to compile template.c.
Thank you
Lin
= [ TEMPLATE.C ]
==
Pedro Alexandre de Araújo Gomes Lapido Loureiro wrote:
Thank you very much for your suggestion...
The problem is the voronoi generator program was written in C++ as a
win32 application.
It is heavily object-oriented and to my current level of programming
would be very hard to compile in Linux.
Thank you very much for your suggestion...
The problem is the voronoi generator program was written in C++ as a win32
application.
It is heavily object-oriented and to my current level of programming would
be very hard to compile in Linux.
Regards.
Pedro.
2007/6/8, David van der Spoel <[EMAIL P
Pedro Alexandre de Araújo Gomes Lapido Loureiro wrote:
Hi,
I'm trying to use "template.c" so as to make my own analysis tool for
gmx-generated trajectories.
Due to the complexity of the tool (it builds an affine Voronoi diagram),
I want to compile it as a stand-alone application.
Unfortunatel
Hi,
I'm trying to use "template.c" so as to make my own analysis tool for
gmx-generated trajectories.
Due to the complexity of the tool (it builds an affine Voronoi diagram), I
want to compile it as a stand-alone application.
Unfortunately, the compiler cannot resolve several external functions c
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