Hi, Units are listed in the large table in the topology section of the pdf manual. (hint: the energy unit everywhere in Gromacs is always kJ/mol and length always nm)
Berk > Date: Tue, 5 Oct 2010 15:14:18 +0200 > From: apanczakiew...@gmail.com > To: gmx-users@gromacs.org > Subject: [gmx-users] ffamber94 parameters > > Dear All, > > Do you know what is the unit of kb in ffamber94bon.itp file? I need to > add some missing parameters for my system however I have them in > kcal/mol and it seems that ffamber94 uses another units. For example: > b0 kb > C O2 1 0.12500 548940.8 ; 7,(1986),230; GLU,ASP > //taken from ffamber94bon.itp > C O2 1.250 656,0 (kcal/mol) //JCC, 7, 230, 1986 > > Thank you in advcance for help! > > Regards, > Artur > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
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