Amber <=> CHARMM
CCLers,
Last week I posted the following query:
Can anyone suggest a program/tool that can convert CHARMM input
files (coordinates, parameters, topology) to Amber and vice-versa?
If not, what is the most efficient work-around?
Respond to me & I'll summarize.
Dave Case posted the only reply - an interesting and helpful one -
to CCL on recent work of his on adding code to Amber to
enable the calculation of a CHARMM-type force field.
(Dave if you are reading this I would be interested in the scripts
you mentioned.)
To obtain further information, perhaps I could be allowed to rephrase
the above question by separating out the parameter issue:
Can anyone suggest a program/tool that can convert CHARMM coordinate and
topology files to Amber and vice-versa?
If not, what is the most efficient work-around?
Respond to me & I'll summarize.
Barry J. Hardy