Hi all,
I use amber7 to perform molecular dynamic simulations with the sander
module. I would like to do single point and minimization calculations
on selected structures using an hybrid potential with the roar module.
I was told that the files .top and .crd generated by xLeap or tLeap of
amber7 are not read by roar. I would like to know if this problem holds
even for .crd files generated by carnal and for .rst files whatever
generated, and if a solution has been proposed for this problem
(perhaps a minor modification in the source code whould be sufficient).
Thank you in advance
Stefano Pieraccini
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Received on Wed Jan 14 2004 - 15:53:12 PST
