Chanchal wrote:
Hi All/Justin,
I got the *.atp file from Mark Abraham and now it is not complaining
about ON2b atom type. But now I am getting the following error while I
was trying to create *.top file using the command:
/Users/parimalkar/gromacs-4.0.5/bin/pdb2gmx_d -ff charmm -f
step5_assembly.pdb -p topol.top -o dopc.pdb
Program pdb2gmx_d, VERSION 4.0.5
Source code file: ter_db.c, line: 87
Fatal error:
Reading Termini Database: expected 3 items of atom data in stead of 1 on
line
N NH3 14.0027 -0.3000
-------------------------------------------------------
The format of the .tdb has changed over time. Try the one in GROMACS
4.0.5 rather than Yuguang's.
Do you *really* need to use CHARMM? :-) Some other force field would be
a much better idea until you're experienced enough to cope with solving
these problems yourself.
Mark
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