[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
More information about the gromacs.org_gmx-users
mailing list