GROMACS version: 2021.3-bioconda
GROMACS modification: No
Dear Gromacs users and developers,
Recently I run the molecular dynamics of a peptide consists of 30 amino acids followed by the tutorial. In the output pdb file of the peptide trajectory, I found that the peptide stretches much longer unexpectedly. I am a beginner in molecular dynamics and therefor I turn to you hoping to get help.
My primitive peptide structure is like this.
The odd structure is showed as follows.
Is there anyone having experienced such like me? Could you please give me some tips and tell me how to improve my MD simulation？
Thanks and best regards,
Linqy