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[#70] Cuban QM/MM request

Submitted By: Huub van Dam

Open Date 2008-10-31 11:48:45	Close Date 2008-11-11 15:09:13
Priority: Medium	Assignee: Huub van Dam
Status: Closed
Summary Cuban QM/MM request
Details Email address: pedro.valiente79@gmail.com Pedro wants to do QM/MM simulations on some protein PlmII using GAMESS-UK/Gromacs. He tried getting Gaussian but being based in Cuba the US export restrictions prevented this. Now he is trying to get GAMESS-UK. However, he is also very upfront about not having any finances to buy a copy of the code. I am not sure how the GAMESS-UK / Gromacs interaction works. So I don't know if for example a demo version could get him started. Huub
Details Email address: pedro.valiente79@gmail.com Pedro wants to do QM/MM simulations on some protein PlmII using GAMESS-UK/Gromacs. He tried getting Gaussian but being based in Cuba the US export restrictions prevented this. Now he is trying to get GAMESS-UK. However, he is also very upfront about not having any finances to buy a copy of the code. I am not sure how the GAMESS-UK / Gromacs interaction works. So I don't know if for example a demo version could get him started. Huub

Follow-ups
Submitted By: Huub van Dam Adddate: 2008-11-04 15:43:54 Trying to arrange a deal in which Pedro will help us establish the Gromacs/GAMESS-UK integration for a personal license to use the code.
Submitted By: Huub van Dam Adddate: 2008-11-10 15:01:03 Received license and CCPForge instructions.
Submitted By: Huub van Dam Adddate: 2008-11-11 15:09:13 User now registered as junior developer

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