[gmx-users] No such moleculetype Na

[swatik at ncbs.res.in]

Hi,
I am performing the simulation of DNA in Gromacs using AMBER03 force
field. The charge on the system is large (-23). I get grompp error when I
add the relevant number of Na+ atoms.

Program grompp_mpi, VERSION 3.3.1
Source code file: toppush.c, line: 1293

Fatal error:
No such moleculetype Na

But the atom type is present in ffamber03.rtp. I tried changing the atom
name to NA and Na+. But I still get similar error. Kindly help.

Regards,
Swati



-- 
Swati kaushik
Research Scholar
Prof.Sowdhamini's lab
National Centre for Biological Sciences
Tata Institute of Fundamental Research
GKVK,
Bellary Road ,Bangalore,
INDIA