Important Notice: Our web hosting provider recently started charging us for additional visits, which was unexpected. In response, we're seeking donations. Depending on the situation, we may explore different monetization options for our Community and Expert Contributors. It's crucial to provide more returns for their expertise and offer more Expert Validated Answers or AI Validated Answers. Learn more about our hosting issue here.

How do I build a model with water molecules or residues that do not have an entry in the topology and/or parameter files?

April 26, 2017build files model molecules parameter residues Topology water

0

Posted

How do I build a model with water molecules or residues that do not have an entry in the topology and/or parameter files?

1 Answer

0

Posted

Water molecules are indicated by ‘w’ in the alignment file and the special block residue (‘BLK’) that does not have entries in the residue topology and parameter libraries is indicated by ‘.’ See Section 4.5.1 for information about block residues.