[lammps-users] From MSC/MORSE to MORSE

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1

Hi,

Is there any of you using the version July 20th 2007. I still use it since
it has the shifted_scaled dihedral type which is important for my coarse
grain polymer.

My question is that whether Morse potential of the version July 20th 2007
and that of the current version are the same.

http://lammps.sandia.gov/doc/pair_morse.html

I customized parameters from msc/morse to morse by diving alpha for 2*Ro and
kept everything else the same.

The polymer becomes extremely rigid.

Is there anything wrong in my potential ?

Thanks in advance for your help.
Ly

data.dp12 (11.7 KB)

in.morse (4.68 KB)

in.msc-morse (3.09 KB)

2

I don't think anything has changed with the Morse potential
in a while. Why don't you diff the old and current versions
of the files and see if anything significant looks different?

I also don't think there is anything in the old 2007 code that
is not in the current version, so I don't understand your comment
about dihedral potentials.

Steve