search

alanwilter / acpype

OFFICIAL: AnteChamber PYthon Parser interfacE
https://alanwilter.github.io/acpype/
GNU General Public License v3.0
201 stars 46 forks source link

Problem generating prm and itp #15

Closed georopon closed 4 years ago

georopon commented 4 years ago

Hi i'am using acpype : acpype -p lig.prmtop -x lig.inpcrd

and only generating gro and top, please can say me as use this files correctly?

alanwilter commented 4 years ago

Please read acpype -h for help. You’re using the simple conversion feature, so, yes, it’s alright.

On Tue 7 Apr 2020 at 04:43, ROPÓN PALACIOS G. notifications@github.com wrote:

Hi i'am using acpype : acpype -p lig.prmtop -x lig.inpcrd

and only generating gro and top, please can say me as use this files correctly?

— You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub https://github.com/alanwilter/acpype/issues/15, or unsubscribe https://github.com/notifications/unsubscribe-auth/AA5YDSXEKH5BCK3QOP4ZKTTRLKHOPANCNFSM4MCYE65A .

-- Sent from iPhone