Dear colleagues, please help me with a CNS syntax. In the refine.inp, I
could provide as many topology (or parameter) files as necessary:
{refine.inp}
{* topology files *}
{===>} topology_infile_1="CNS_TOPPAR:protein.top";
{===>} topology_infile_2="CNS_TOPPAR:dna-rna.top";
{===>} topology_infile_3="CNS_TOPPAR:water.top";
{===>} topology_infile_4="CNS_TOPPAR:ion.top";
{===>} topology_infile_5="../data/ligand1.top";
{===>} topology_infile_6="../data/ligand2.top";
But in the generate.inp file, there is only one input option for "ligand"
(among others like protein, water, carbohydrate:
{generate.inp}
{* ligand topology file *}
{===>} ligand_topology_infile="../data/ligand1.top";
As I'm having two ligands in the structure, how do I get around with the
generate.inp syntax?
Thank you in advance, -jacob
