Re: [gmx-users] "editconf" displays incorrect mass of input, GROMACS version 4.5.4

2013-10-30 Thread Justin Lemkul
On 10/30/13 2:34 PM, Hari Pandey wrote: Dear Gromacs users, Please somebody help . editconf computs the incorrect value of "mass of input". I tried to resolve this problem but failed. Previously I was doing AOt but now I just found that the molecule OS1 =O2L showing error . Here I posted m

[gmx-users] "editconf" displays incorrect mass of input, GROMACS version 4.5.4

2013-10-30 Thread Hari Pandey
Dear Gromacs users, Please somebody help . editconf computs the incorrect value of  "mass of input".  I tried to resolve this problem but failed. Previously I was doing AOt but now I just found that the molecule OS1 =O2L  showing error . Here I posted my A.pdb, RM.rtp atomtypes.atp.  The mass of