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Hello
<BR>
<BR>
I am simulating tri peptides.
<BR>
I want to simulate the interaction between peptides without change of each peptide's conformation.
<BR>
<BR>
To do that, I added "constraints = all_angles" in .mdp file and then run grompp.
<BR>
The program was halted at the stage of "turning all bonds and angles into constraints..."
<BR>
<BR>
What should I do to solve this problem? Are there any method that require less source?
<BR>
<BR>
Best wishes,
<BR>
Kim<P> <BR></P><STYLE>
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National Genome Information Center
<BR>
Korea Research Institute of Bioscience and Biotechnology
<BR>
Oun-dong, Yusung-Gu, Taejon 305-333
<BR>
Republic of Korea
<BR>
<BR>
<BR>
<P> <BR></P><p>
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