????? ????????? ?? ????????? ????? ?????????? ??? ?????????-?????????? 3?? ????? ? ?????? ????????. ???????: ??????? ?????????? ? ??????? ??????. ????? ??????????: ???????????? ????? ??????? ??? (????????????? 1,????.12). ????: 26-30 ???? 2017 ???? ????????? ??????? ??????? ???? ????????? ????? ? ????. ????????? ?????????: ?????? ? ????????? ?????? linux ?????? ? PyMOL: ???????????? ? ?????????????? ???????????? ???????? […]
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Published in Май 24th, 2016
Posted by comcon1 in ??? ???????
5 Comments
Compiling CP2K
Published in Май 5th, 2016
Posted by ?????? ???????? in ??? ???????
Everyone who deals withCP2K applications faces the problem of their compilation which appears to be rather challenging. Several available guides propose different compilationinstructionsbut the choice of the best one is not evident. Here we provide a guide that would allow you to develop your own CP2K build protocol.
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- MD Practice #1 — making toy force field
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- Compiling CP2K
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