[gmx-users] tpr file

Dongsheng Zhang dong at pampas.chem.purdue.edu
Thu Jul 6 20:43:34 CEST 2006

Dear GMX users,

The following message is from a tpr file by gmxdump command:

atom[  1111]={type=  4, typeB=  4, ptype=    Atom, m= 1.20110e+01,
q=-5.29400e-01, mB= 1.20110e+01, qB=-5.29400e-01, resnr=   32}
grpnrs=[ 0 0 0 0 0 0 0 0 0 0 ]}

Could anyone tell me what does "type=  4" mean? I have checked the
manual and mailing list, but no fortune to get the answer. Thank you for
your help!


More information about the gromacs.org_gmx-users mailing list