[gmx-users] Different results for same protein's simulation in 4.6.5 and 5.0.4

[SAPNA BORAH]

Dear all,

I have tried running the same protein in the two versions of gromacs 4.6.5
and 5.0.4. Now, both the runs are producing entirely different results.

The results till equilibration are same.

After the run however, there is a total change in the production results. I
have used the same mdp files.

I have rerun the systems and they still produce similar results in the same
version.

The protein structure is a modelled one.


Thanks in advance.
Sapna.

Sapna Mayuri Borah
c/o Dr. A. N. Jha
Research student
Tezpur University,
India