subarna thakur wrote:
Hello
In the file ffG43a1bon.itp, the bond parameters are given like this-
--
ICB(H)[N] CB[N] B0[N]
;
#define gb_1 0. 1000 1.5700e+07
; H - OA750
;
#define gb_2 0. 1000 1.8700e+07
; H - N (all) 895
;
#define gb_3 0.1090
Hello
In the file ffG43a1bon.itp, the bond parameters are given like this-
--
ICB(H)[N] CB[N] B0[N]
;
#define gb_1 0. 1000 1.5700e+07
; H - OA 750
;
#define gb_2 0. 1000 1.8700e+07
; H - N (all) 895
;
#define gb_3 0. 1090 1.2300e+07
; HC - C
accomp lin wrote:
Dear all
Gromacs 3.3.3 seems to have a problem with g_wham and there is a fixed
version from David Bostick of Scripps. So, does anybody has this fixed
version of g_wham or is there anybody know that where I can find it?
My email address is " accomp...@student.dlut.edu.c
Dear all
Gromacs 3.3.3 seems to have a problem with g_wham and there is a fixed version
from David Bostick of Scripps. So, does anybody has this fixed version of
g_wham or is there anybody know that where I can find it?
My email address is " accomp...@student.dlut.edu.cn "
Thanks a lot
J
Jennifer Williams wrote:
Quoting Jennifer Williams :
Hi,
Thanks for your input. Sorry I should have mentioned that I am using
the latest version of gromacs (4.0.5).
This morning I noticed that the strange domain decomp statistics are
only produced when my simulations run on certain nodes. Be
vidhya sankar wrote:
dear gmx user ,
i am doing QM/MM using MOPAC/GROMACS when i configure mopac7-1.10 the software using for the interface with gromacs by
../configure command i got error as follows
configure error: f2c or g2c library cannot be found .
solution for the above error would be a
>
> Hello,
>
> I downloaded "topolbuild1_2_1.tgz" from the URL:
> http://www.gromacs.org/@api/deki/files/40/=topolbuild1_2_1.tgz
>
It seems you are right. I tried the same and also found the archive broken.
Vitaly V. Chaban, Ph.D. (ABD)
School of Chemistry
V.N. Karazin Kharkiv National Universi
7 matches
Mail list logo
