From 2598ae2e8dd09bbd765c731c6c991737e48e24a3 Mon Sep 17 00:00:00 2001 From: Jonathon Vandezande Date: Thu, 12 Dec 2024 17:44:13 -0500 Subject: [PATCH 1/2] Adds DMF to GFN2/GBSA --- source/gbsa.rst | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/source/gbsa.rst b/source/gbsa.rst index c0809001..d6c9f3c2 100755 --- a/source/gbsa.rst +++ b/source/gbsa.rst @@ -85,12 +85,12 @@ Here is a list of the available solvents. CHCl₃ x x x x x CS₂ x x x x x Dioxane x x x - DMF x x x + DMF x x x x DMSO x x x x x Ether x x x x x Ethylacetate x x x Furane x x x - Hexadecane x x x + Hexadecane x x x Hexane x x x x Methanol x x Nitromethane x x x From f586bc9e5acf7f26805dae69f9da1578bd1b9339 Mon Sep 17 00:00:00 2001 From: Jonathon Vandezande Date: Fri, 13 Dec 2024 09:53:25 -0500 Subject: [PATCH 2/2] Adds methanol for ALPB and GFN-FF --- source/gbsa.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/gbsa.rst b/source/gbsa.rst index d6c9f3c2..672712aa 100755 --- a/source/gbsa.rst +++ b/source/gbsa.rst @@ -92,7 +92,7 @@ Here is a list of the available solvents. Furane x x x Hexadecane x x x Hexane x x x x - Methanol x x + Methanol x x x x x Nitromethane x x x Octanol x x x Octanol (wet) x x x