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                Dear&nbsp;Gromacs&nbsp;developers,&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;Based&nbsp;on&nbsp;Gromacs-2020.2,&nbsp;we've&nbsp;done&nbsp;a&nbsp;series&nbsp;of&nbsp;development&nbsp;related&nbsp;to&nbsp;FEP&nbsp;in&nbsp;following&nbsp;aspects&nbsp;.&nbsp;We&nbsp;would&nbsp;like&nbsp;to&nbsp;contribute&nbsp;our&nbsp;codes&nbsp;to&nbsp;Gromacs&nbsp;and&nbsp;we're&nbsp;looking&nbsp;forward&nbsp;to&nbsp;hearing your&nbsp;opinions&nbsp;first.
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                        &nbsp;&nbsp;&nbsp;&nbsp;High-performance&nbsp;implementations:&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;1.&nbsp;&nbsp;Offload&nbsp;FEP-PME&nbsp;to&nbsp;GPU.&nbsp;&nbsp;Our&nbsp;status:&nbsp;finished. We've&nbsp;also&nbsp;noticed&nbsp;that&nbsp;this&nbsp;function&nbsp;has&nbsp;been&nbsp;implemented&nbsp;in&nbsp;commit&nbsp;f7be07e3cc901eb03700d93248fc09b573370282&nbsp;by&nbsp;M.&nbsp;Lundborg&nbsp;et.&nbsp;al.&nbsp;and&nbsp;has&nbsp;been&nbsp;merged&nbsp;in&nbsp;Gromacs-2021.&nbsp;So&nbsp;we&nbsp;won't&nbsp;commit&nbsp;this.&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;2.&nbsp;&nbsp;Offload non-bonded free energy kernel&nbsp;to&nbsp;GPU.&nbsp;Our&nbsp;status:&nbsp;finished.&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;3.&nbsp;&nbsp;Offload&nbsp;bonded free energy kernel&nbsp;to&nbsp;GPU.&nbsp;Our&nbsp;status:&nbsp;finished.
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                        &nbsp;&nbsp;&nbsp;&nbsp;4.&nbsp;&nbsp;Support&nbsp;GPU&nbsp;updates for FEP.&nbsp;Our&nbsp;status:&nbsp;finished&nbsp;md-integrator. We've&nbsp;noticed&nbsp;that&nbsp;this&nbsp;has&nbsp;also&nbsp;been&nbsp;implemented&nbsp;in&nbsp;Gromacs-2021,&nbsp;but&nbsp;we'are&nbsp;still&nbsp;interested&nbsp;in&nbsp;supporting&nbsp;GPU&nbsp;updates&nbsp;of&nbsp;sd-integrator.&nbsp;&nbsp;Similar&nbsp;discussion&nbsp;can&nbsp;be&nbsp;found&nbsp;in&nbsp;issue&nbsp;&nbsp;#3258&nbsp;on&nbsp;gitlab.&nbsp;
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                        &nbsp; &nbsp; 5.&nbsp; Support GPU replica exchange. Our status: finished.
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                        &nbsp;&nbsp;&nbsp;&nbsp;New&nbsp;features:&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;1.&nbsp;&nbsp;Support&nbsp;"Soft&nbsp;Bond&nbsp;Potential"&nbsp;in&nbsp;FEP,&nbsp;which&nbsp;is&nbsp;proposed&nbsp;in&nbsp;&nbsp;DOI:&nbsp;10.1021/acs.jctc.6b00991&nbsp;and&nbsp;allows&nbsp;a&nbsp;more&nbsp;smooth&nbsp;change&nbsp;of&nbsp;bond&nbsp;topology&nbsp;when&nbsp;there&nbsp;is&nbsp;bond&nbsp;formation&nbsp;or&nbsp;breaking&nbsp;in&nbsp;a&nbsp;FEP&nbsp;transformation,&nbsp;such&nbsp;as&nbsp;5-member&nbsp;ring&nbsp;to&nbsp;6-member&nbsp;ring.&nbsp;&nbsp;Our&nbsp;status:&nbsp;finished.&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;2.&nbsp;&nbsp;Split&nbsp;softcore&nbsp;parameters&nbsp;for&nbsp;VDW&nbsp;and&nbsp;Coulomb&nbsp;interactions.&nbsp;&nbsp;We&nbsp;noticed&nbsp;that&nbsp;currently&nbsp;Gromacs&nbsp;supports&nbsp;only&nbsp;one&nbsp;parameter&nbsp;"sc-alpha"&nbsp;to&nbsp;modify&nbsp;soft-core&nbsp;interactions.&nbsp;&nbsp;After&nbsp;our&nbsp;tests,&nbsp;this&nbsp;will&nbsp;cause&nbsp;a&nbsp;phase-transition-like&nbsp;phenomenon&nbsp;at&nbsp;middle&nbsp;lambdas&nbsp;in&nbsp;some&nbsp;cases.&nbsp;&nbsp;Our&nbsp;status:&nbsp;finished.&nbsp;&nbsp;We&nbsp;also&nbsp;noticed&nbsp;recently&nbsp;there have&nbsp;been&nbsp;some&nbsp;new&nbsp;forms&nbsp;of&nbsp;softcores&nbsp;&nbsp;like&nbsp;gapsys&nbsp;softcore&nbsp;(DOI:&nbsp;&nbsp;dx.doi.org/10.1021/ct300220p&nbsp;and&nbsp;discussed&nbsp;in&nbsp;<a href="https://gitlab.com/gromacs/gromacs/-/merge_requests/882" target="_blank">https://gitlab.com/gromacs/gromacs/-/merge_requests/882</a>&nbsp;)&nbsp;and&nbsp;Amber&nbsp;SSC2&nbsp;softcore&nbsp;(DOI:&nbsp;10.1021/acs.jctc.0c00237.)&nbsp;&nbsp;And&nbsp;we&nbsp;would&nbsp;like&nbsp;to&nbsp;ask&nbsp;if&nbsp;you&nbsp;consider&nbsp;it's&nbsp;necessary&nbsp;to&nbsp;support&nbsp;such&nbsp;new&nbsp;softcore&nbsp;potentials.&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;These&nbsp;terms&nbsp;are&nbsp;all&nbsp;that&nbsp;we&nbsp;want&nbsp;to&nbsp;contribute&nbsp;to&nbsp;Gromacs.&nbsp;But&nbsp;we&nbsp;have&nbsp;to&nbsp;admit&nbsp;that&nbsp;there&nbsp;is&nbsp;still&nbsp;a&nbsp;lot&nbsp;of&nbsp;work&nbsp;to&nbsp;test&nbsp;and&nbsp;standardize&nbsp;our&nbsp;codes&nbsp;to&nbsp;meet&nbsp;all&nbsp;requirements&nbsp;of&nbsp;Gromacs.&nbsp;&nbsp;Is&nbsp;there&nbsp;any&nbsp;suggestion?&nbsp;
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                        &nbsp;&nbsp;&nbsp;&nbsp;Best&nbsp;wishes!
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                        &nbsp;&nbsp;&nbsp;&nbsp;Happy Simulating!<br>
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                        &nbsp;&nbsp;&nbsp;&nbsp;Yuzhi &amp; Junhan&nbsp;
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