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Difference in CHOL in old and new version
- mbusahit
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7 years 6 months ago - 7 years 6 months ago #5903
by mbusahit
Difference in CHOL in old and new version was created by mbusahit
Hello,
The current version of CHOL itp shows only one bonded interaction, whereas the older version has eight bonded interactions. The dihedral, angles and constraints are also different. The number of beads and bead definitions for both the versions are same.
Can someone please tell me why these changes have been made what implications these have..
The current version of CHOL itp shows only one bonded interaction, whereas the older version has eight bonded interactions. The dihedral, angles and constraints are also different. The number of beads and bead definitions for both the versions are same.
Can someone please tell me why these changes have been made what implications these have..
Last edit: 7 years 6 months ago by mbusahit.
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- flaviyan
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7 years 6 months ago - 7 years 6 months ago #5905
by flaviyan
Replied by flaviyan on topic Difference in CHOL in old and new version
The new parameters uses virtual sites and constraints. Check the description in the Itp and the paper on improved parameters for sterols and halopenoids
Last edit: 7 years 6 months ago by flaviyan.
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