Re: AMBER force field parameters

From: Victor Kwan (vkwan8_at_uwo.ca)
Date: Fri Aug 16 2019 - 16:35:12 CDT

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My bad. A thermostat and a barostat on top of the NVE simulation.

On Thu, Aug 8, 2019 at 7:51 AM Victor Kwan <vkwan8_at_uwo.ca<mailto:vkwan8_at_uwo.ca>> wrote:
Hi Rui,

The only difference is that you will be using a barostat on top of the PME/NVE simulation.

Regards,

Victor

On Tue, Aug 6, 2019 at 5:23 PM Rui Chen <rchen6_at_ualberta.ca<mailto:rchen6_at_ualberta.ca>> wrote:
Hello,

I realized the AMBER force field parameters in the newest version of the NAMD user guideline are very useful. However, the example 2 on page 32 of the guideline is for PME, NVE ensemble, is there any template for PME, NTP ensemble or which parameters do I need to modify?

Looking forward to hearing from you. Thank you.

Best regards,
Rui Chen

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