[gmx-users] Re: Using Morse potentials with ENCAD force field

Using the parameters listed earlier I equalized my system after trying to place the oxygen and nitrogen molecules evenly throughout my system. The result showed the nitrogen molecules fairly even throughout the system but all the oxygen molecules on one side. Any ideas on why the system might not

[gmx-users] Mailman CGI error!!! The Mailman CGI wrapper encountered a fatal error. This entry is being stored in your syslog: Group mismatch error. Mailman expected the CGI wrapper script to be execu

I got this message when I tried to use the web page to unsubscribe from the users e-mail list. Mailman CGI error!!! The Mailman CGI wrapper encountered a fatal error. This entry is being stored in your syslog: Group mismatch error. Mailman expected the CGI wrapper script to be executed as gro

Re: [gmx-users] #include "ffG45a3.itp"

Chih-Ying Lin wrote: Hi The same question is here. Would you please explain this again for me? Thank you Lin 2. the complete data for ffG45a3 are as follows If I simply write "#include "ffG45a3.itp" in my .top file and do NOT include others. Will Gromacs include all of the OTHERS automatica

Re: [gmx-users] #include "ffG45a3.itp"

Hi The same question is here. Would you please explain this again for me? Thank you Lin 2. the complete data for ffG45a3 are as follows If I simply write "#include "ffG45a3.itp" in my .top file and do NOT include others. Will Gromacs include all of the OTHERS automatically? Or, I have to inclu

[gmx-users] QMMM

hello I want install gromacs with gamess US for QMMM can you guide me for installation procedure thank you ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://

Re: [gmx-users] #include "ffG45a3.itp"

Chih-Ying Lin wrote: HI 1. when i make a .top file myself, i wrote the command #include "ffG45a3.itp". with this command, does it mean that Gromacs will assign the force field parameters automatically for those I do NOT write into the .top file ? yes, if they are present in the FF. 2. the co