[gmx-users] Re: topolbuild1_2_1.tgz decompressing problem

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 University

Re: [gmx-users] reg mopac gromacs installation

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

Re: [gmx-users] very strange domain composition statistics

Jennifer Williams wrote: Quoting Jennifer Williams jennifer.willi...@ed.ac.uk: 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

[gmx-users] g_wham problem

  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

Re: [gmx-users] g_wham problem

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

[gmx-users] desciption of ffG43a1bon.itp

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