[gmx-users] multi chain simulation

"김현철" sundol313 at naver.com
Tue May 11 07:08:53 CEST 2004


I am simulating tri peptides.
I want to simulate the interaction between peptides without change of each peptide's conformation.

To do that, I added "constraints = all_angles" in .mdp file and then run grompp.
The program was halted at the stage of "turning all bonds and  angles into constraints..."

What should I do to solve this problem? Are there any method that require less source?

Best wishes,
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