[gmx-users] free energy calculations

Marta Wisniewska marta.d.wisniewska at gmail.com
Fri Jan 29 13:27:41 CET 2016


Dear Gromac's users,

I'd like to perform a FEP calculations. I've done yours tutorial and now
follow by it, i'd like to perform my calculations for small molecule in
water. I got a problem:
Fatal error:
No such moleculetype SOL

I don't know what it means in these cases, because both files are similar
to each other (yours and mine).

Co you have any idea?
thank you in advance,
Marta


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