Bio wrote:
Hello sapiens,
Thanks for ur previous suggestions. While we are trying to view
ramachandran movie through xrama, we have got error as can't open
display, set your DISPLAY environment variable.Let us come to know how
to fix this problem.we are running GROMACS in winXP with cygwin.
T
Li, Yun wrote:
Thanks for getting back to me so quickly. I am following this tutorial:
http://www.dddc.ac.cn/embo04/practicals/9_14_1.htm
It seems to be very straight forward. However, I can't overcome my
problem. Here is the output from genbox:
:-) G R O M A C
Hello sapiens,
Thanks for ur previous suggestions. While we are trying to view
ramachandran movie through xrama, we have got error as can't open
display, set your DISPLAY environment variable.Let us come to know how
to fix this problem.we are running GROMACS in winXP with cygwin.
Thank You,
Reg
Thanks for getting back to me so quickly. I am following this tutorial:
http://www.dddc.ac.cn/embo04/practicals/9_14_1.htm
It seems to be very straight forward. However, I can't overcome my
problem. Here is the output from genbox:
:-) G R O M A C S (-:
Li, Yun wrote:
Hi,
I was very excited to discover Gromacs and decided to learn by following
a few tutorials I found online. However, I ran into a problem: After
filling up the simulation box with SPC water using genbox, the program
backed up the topology file into another file with its nam
Yuhui Li wrote:
Hi, all
I installed gromacs-3.3.1 recently and tested a system consisting only
thress water molecules. When I use coulombtype = Cut-off, it works well,
but if I use coulombtype = PME, there was a segmentation fault. I have
checked the maillist archives and found that some peop
Yuhui Li wrote:
Hi, all
I installed gromacs-3.3.1 recently and tested a system consisting only
thress water molecules. When I use coulombtype = Cut-off, it works well,
but if I use coulombtype = PME, there was a segmentation fault. I have
checked the maillist archives and found that some peop
Hi,
I was very excited to discover Gromacs and decided to learn by following
a few tutorials I found online. However, I ran into a problem: After
filling up the simulation box with SPC water using genbox, the program
backed up the topology file into another file with its name flanked by
#, and
Hi, all
I installed gromacs-3.3.1 recently and tested a system consisting only
thress water molecules. When I use coulombtype = Cut-off, it works well, but
if I use coulombtype = PME, there was a segmentation fault. I have checked
the maillist archives and found that some people had the same prob
Hi David
Thanks for your reply. I want to calculate dipolar
corelation function C(t) between proton and fluorine
using the equation:
C(t) = 1/4Σ[(3cos2θ(0)-1
)(3cos2θ(t)-1 )]/r(0)r3(t)
(ref Fellar et al, JACS 121, 8963-64, 1999)
where I have a proton i and total n fluorines. At time
= 0, a prot
Anirban and all,
I am putting this on list since I don't want to make a full-time job
out of answering free energy questions (although stay tuned for a more
extensive tutorial) and hopefully I can avoid answering the same
question more than once.
I have seen your posts on gromacs mailing list r
I am not sure what you are asking since I believe that I have already
given you this answer on the gromacs mailing list.
http://www.gromacs.org/pipermail/gmx-users/2006-December/025087.html
I certainly do not mind personal emails and I am happy to help, but
there are three very good reasons
Hi Carsten,
You've included "ions.itp" twice... Note that this has crossed the
mailing list recently and you could've found the answer by searching
the archive.
Tsjerk
On 12/14/06, Carsten Baldauf <[EMAIL PROTECTED]> wrote:
after i added ions using genion i get this error when i try to run
gro
after i added ions using genion i get this error when i try to run
grompp again:
Generated 165 of the 1596 non-bonded parameter combinations
Cleaning up temporary file grompphYfrXb
---
Program grompp, VERSION 3.3.1
Source code file: toppush.c, l
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