Problem with aggregates in SYBYL
Hello,
Does SYBYL's MAXIMIN2 work with more than one aggregate?
I minimized some RNA-hairpins with the stem defined as an aggregate (BIGAGG
created with ANNEAL) and the results were satisfying.
Sometimes though the loop-bases were twisted so I decided to fix them by
defining them as aggregates (each one separately).
After that I started MAXIMIN2. With some hairpins MAXIMIN2 survived 2-6
iterations before giving the message: Line search Iteration limit reached.
With another hairpin Sybyl crashed completely so I had to reboot my E&S
PS350.
Can somebody help me, please?
Many thanks in advance
Peter Reinert