That variable is defined, and I see stuff related to blas/lapack in that directory, so I gave it a try. Now I get:
(AmberTools20) cpptraj >> ./configure --buildlibs --with-blas=$AMBERHOME --with-lapack=$AMBERHOME -fftw3 gnu
blas specified: /opt/anaconda3/envs/AmberTools20
lapack specified: /opt/anaconda3/envs/AmberTools20
fftw3 enabled.
C++ compiler (CXX) set to x86_64-apple-darwin13.4.0-clang++
C compiler (CC) set to x86_64-apple-darwin13.4.0-clang
Fortran compiler (FC) set to /opt/anaconda3/envs/AmberTools20/bin/x86_64-apple-darwin13.4.0-gfortran
Testing C++ compiler: OK
Testing C compiler: OK
Testing Fortran compiler: OK
Testing basic C++11 support: OK
Testing system headers for C++11 support: OK
Enabled libraries will be built if not present.
Checking BZLIB: OK
Checking ZLIB: OK
Checking NetCDF: Checking for bundled NetCDF: OK
dyld: Library not loaded: .rpath/libopenblas.0.dylib
Referenced from: /Users/matthewguberman-pfeffer/PersonalDIR/Desktop/Programs/cpptraj/./testp
Reason: image not found
./configure: line 479: 33841 Abort trap: 6 ./testp > prog.out
Error: Run of test program failed, compiled with: x86_64-apple-darwin13.4.0-clang++ -Wall -O3 -march=core2 -mtune=haswell -mssse3 -ftree-vectorize -fPIC -fPIE -fstack-protector-strong -O2 -pipe -stdlib=libc++ -fvisibility-inlines-hidden -std=c++14 -fmessage-length=0 -isystem /opt/anaconda3/envs/AmberTools20/include -std=gnu++11 -o testp testp.cpp -L/opt/anaconda3/envs/AmberTools20/lib -llapack -L/opt/anaconda3/envs/AmberTools20/lib -lblas -lgfortran -L/usr/local/opt/lapack/lib
Best,
Matthew
> On Mar 30, 2022, at 8:14 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> *Message sent from a system outside of UConn.*
>
>
> OK - seems like OSX makes it a pain to build lapack. Try this
> (assuming AMBERHOME is set and AMBERHOME/lib contains blas/lapack):
>
> ./configure --buildlibs --with-blas=$AMBERHOME
> --with-lapack=$AMBERHOME -fftw3 gnu
>
> On Wed, Mar 30, 2022 at 7:36 PM Matthew Guberman-Pfeffer
> <matthew.guberman-pfeffer.uconn.edu> wrote:
>>
>> Yes, here’s the file attached.
>>
>>
>>> On Mar 30, 2022, at 7:31 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>
>>> *Message sent from a system outside of UConn.*
>>>
>>>
>>> Are there any errors in
>>> /Users/matthewguberman-pfeffer/PersonalDIR/Desktop/Programs/cpptraj/lapack_compile.log
>>> ?
>>>
>>> On Wed, Mar 30, 2022 at 7:12 PM Matthew Guberman-Pfeffer
>>> <matthew.guberman-pfeffer.uconn.edu> wrote:
>>>>
>>>> I downloaded from that link now. If I try with clang, I get:
>>>>
>>>> fftw3 enabled.
>>>> C++ compiler (CXX) set to x86_64-apple-darwin13.4.0-clang++
>>>> C compiler (CC) set to x86_64-apple-darwin13.4.0-clang
>>>> Fortran compiler (FC) set to /opt/anaconda3/envs/AmberTools20/bin/x86_64-apple-darwin13.4.0-gfortran
>>>>
>>>> Testing C++ compiler: OK
>>>> Testing C compiler: OK
>>>> Testing Fortran compiler: OK
>>>> Testing basic C++11 support: OK
>>>> Testing system headers for C++11 support: OK
>>>> Testing clang C++/Fortran linking: dyld: Library not loaded: @rpath/libgfortran.5.dylib
>>>> Referenced from: /Users/matthewguberman-pfeffer/PersonalDIR/Desktop/Programs/cpptraj/./testp
>>>> Reason: image not found
>>>> ./configure: line 479: 23112 Abort trap: 6 ./testp > prog.out
>>>>
>>>> Error: Run of test program failed, compiled with: x86_64-apple-darwin13.4.0-clang++ -o testp testc.o testf.o -L/opt/anaconda3/envs/AmberTools20/lib/gcc/x86_64-apple-darwin13.4.0/9.3.0/../../../ -lgfortran -L/usr/local/opt/lapack/lib
>>>>
>>>> If I try with GNU, I get:
>>>> (AmberTools20) cpptraj >> ./configure -fftw3 --buildlibs gnu
>>>> fftw3 enabled.
>>>> C++ compiler (CXX) set to x86_64-apple-darwin13.4.0-clang++
>>>> C compiler (CC) set to x86_64-apple-darwin13.4.0-clang
>>>> Fortran compiler (FC) set to /opt/anaconda3/envs/AmberTools20/bin/x86_64-apple-darwin13.4.0-gfortran
>>>>
>>>> Testing C++ compiler: OK
>>>> Testing C compiler: OK
>>>> Testing Fortran compiler: OK
>>>> Testing basic C++11 support: OK
>>>> Testing system headers for C++11 support: OK
>>>> Enabled libraries will be built if not present.
>>>> Checking BZLIB: OK
>>>> Checking ZLIB: OK
>>>> Checking NetCDF: Checking for bundled NetCDF: Downloading netcdf...
>>>> --2022-03-30 19:10:26-- https://nam10.safelinks.protection.outlook.com/?url=ftp%3A%2F%2Fftp.unidata.ucar.edu%2Fpub%2Fnetcdf%2Fnetcdf-4.6.1.tar.gz&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=Hx%2B6pjydDRwR%2BaT7LtWySFiLhGaCkvkjwAHqUM7l%2FY8%3D&reserved=0
>>>> => ‘netcdf-4.6.1.tar.gz’
>>>> Resolving ftp.unidata.ucar.edu (ftp.unidata.ucar.edu)... 128.117.149.10
>>>> Connecting to ftp.unidata.ucar.edu (ftp.unidata.ucar.edu)|128.117.149.10|:21... connected.
>>>> Logging in as anonymous ... Logged in!
>>>> ==> SYST ... done. ==> PWD ... done.
>>>> ==> TYPE I ... done. ==> CWD (1) /pub/netcdf ... done.
>>>> ==> SIZE netcdf-4.6.1.tar.gz ... 5693557
>>>> ==> PASV ... done. ==> RETR netcdf-4.6.1.tar.gz ... done.
>>>> Length: 5693557 (5.4M) (unauthoritative)
>>>>
>>>> netcdf-4.6.1.tar.gz 100%[=====================================================================================================================>] 5.43M 2.25MB/s in 2.4s
>>>>
>>>> 2022-03-30 19:10:29 (2.25 MB/s) - ‘netcdf-4.6.1.tar.gz’ saved [5693557]
>>>>
>>>> Unpacking netcdf...
>>>> Configuring netcdf... Success.
>>>> ./get_library.sh: line 183: nproc: command not found
>>>> MAKE_COMMAND is not set; set to 'make -j6'
>>>> Compiling netcdf (may be time-consuming)... Success.
>>>> Checking built NetCDF: OK
>>>> Checking LAPACK/BLAS: Checking for bundled LAPACK/BLAS: Downloading lapack...
>>>> --2022-03-30 19:11:02-- https://nam10.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2FReference-LAPACK%2Flapack%2Farchive%2Fv3.9.0.tar.gz&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=ejhM7ExI01839847xz%2B0V2%2BzwqcbeGfALCQAQb3%2FRwY%3D&reserved=0
>>>> Resolving github.com (github.com)... 140.82.113.4
>>>> Connecting to github.com (github.com)|140.82.113.4|:443... connected.
>>>> HTTP request sent, awaiting response... 302 Found
>>>> Location: https://nam10.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcodeload.github.com%2FReference-LAPACK%2Flapack%2Ftar.gz%2Frefs%2Ftags%2Fv3.9.0&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=9nLcQksYhTWoI9CWI90DT2157BfVrHHOOdX9J%2F9Uok4%3D&reserved=0 [following]
>>>> --2022-03-30 19:11:02-- https://nam10.safelinks.protection.outlook.com/?url=https%3A%2F%2Fcodeload.github.com%2FReference-LAPACK%2Flapack%2Ftar.gz%2Frefs%2Ftags%2Fv3.9.0&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=9nLcQksYhTWoI9CWI90DT2157BfVrHHOOdX9J%2F9Uok4%3D&reserved=0
>>>> Resolving codeload.github.com (codeload.github.com)... 140.82.114.9
>>>> Connecting to codeload.github.com (codeload.github.com)|140.82.114.9|:443... connected.
>>>> HTTP request sent, awaiting response... 200 OK
>>>> Length: unspecified [application/x-gzip]
>>>> Saving to: ‘v3.9.0.tar.gz’
>>>>
>>>> v3.9.0.tar.gz [ <=> ] 7.18M 5.04MB/s in 1.4s
>>>>
>>>> 2022-03-30 19:11:04 (5.04 MB/s) - ‘v3.9.0.tar.gz’ saved [7534567]
>>>>
>>>> Unpacking lapack...
>>>> Configuring lapack... (using generated make.inc) Success.
>>>> ./get_library.sh: line 183: nproc: command not found
>>>> MAKE_COMMAND is not set; set to 'make -j6'
>>>> Compiling lapack (may be time-consuming)... Build failed.
>>>> Check /Users/matthewguberman-pfeffer/PersonalDIR/Desktop/Programs/cpptraj/lapack_compile.log for errors.
>>>> Error: Building LAPACK/BLAS failed.
>>>>
>>>>
>>>>
>>>> Best,
>>>> Matthew
>>>>> On Mar 30, 2022, at 7:05 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>>>
>>>>> *Message sent from a system outside of UConn.*
>>>>>
>>>>>
>>>>> Hi,
>>>>>
>>>>> On Wed, Mar 30, 2022 at 4:59 PM Matthew Guberman-Pfeffer
>>>>> <matthew.guberman-pfeffer.uconn.edu> wrote:
>>>>>> Error: Unrecognized Option '—buildlibs'. Use '-h' or '--help' for help.
>>>>>
>>>>> This indicates you're using an older version. Make sure you're using
>>>>> the GitHub version (https://nam10.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2FAmber-MD%2Fcpptraj&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=FS5FKA4TwHqkAPJcnwdgMVPHGcDkJ45yeZ%2FVlbDCnXc%3D&reserved=0); this is the
>>>>> only version with the new hbond matrix functionality.
>>>>>
>>>>> Once you've got the GitHub version, try
>>>>>
>>>>> ./configure -fftw3 --buildlibs clang
>>>>>
>>>>> Since it seems like you have clang and not GNU compilers.
>>>>>
>>>>> -Dan
>>>>>
>>>>>>
>>>>>> Then, I tried:
>>>>>> (AmberTools20) cpptraj >> ./configure -fftw3 gnu
>>>>>> fftw3 enabled.
>>>>>> C++ compiler (CXX) set to x86_64-apple-darwin13.4.0-clang++
>>>>>> C compiler (CC) set to x86_64-apple-darwin13.4.0-clang
>>>>>> Fortran compiler (FC) set to /opt/anaconda3/envs/AmberTools20/bin/x86_64-apple-darwin13.4.0-gfortran
>>>>>>
>>>>>> Testing C++ compiler: OK
>>>>>> Testing C compiler: OK
>>>>>> Testing Fortran compiler: OK
>>>>>> Testing basic C++11 support: OK
>>>>>> Testing system headers for C++11 support: OK
>>>>>> Checking BZLIB: OK
>>>>>> Checking ZLIB: OK
>>>>>> Checking NetCDF: Checking for bundled NetCDF: OK
>>>>>> Checking LAPACK/BLAS: Checking for bundled LAPACK/BLAS: Should CPPTRAJ attempt to build its own lapack? {y|n}: y
>>>>>> Configuring lapack... (using generated make.inc) Success.
>>>>>> ./get_library.sh: line 183: nproc: command not found
>>>>>> MAKE_COMMAND is not set; set to 'make -j6'
>>>>>> Compiling lapack (may be time-consuming)... Build failed.
>>>>>> Check /Users/matthewguberman-pfeffer/PersonalDIR/Desktop/Programs/cpptraj/lapack_compile.log for errors.
>>>>>> Error: Building LAPACK/BLAS failed.
>>>>>>
>>>>>> Best,
>>>>>> Matthew
>>>>>>
>>>>>>
>>>>>>> On Mar 30, 2022, at 4:54 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>>>>>
>>>>>>> *Message sent from a system outside of UConn.*
>>>>>>>
>>>>>>>
>>>>>>> Hi,
>>>>>>>
>>>>>>> Try configure -fftw3 —buildlibs gnu
>>>>>>>
>>>>>>> -Dan
>>>>>>>
>>>>>>> On Wed, Mar 30, 2022 at 4:40 PM Matthew Guberman-Pfeffer <
>>>>>>> matthew.guberman-pfeffer.uconn.edu> wrote:
>>>>>>>
>>>>>>>> Hi Dan,
>>>>>>>>
>>>>>>>> Thanks! I tried to install cpptraj from GitHub on my Mac, but had the
>>>>>>>> below errors:
>>>>>>>>
>>>>>>>> I tried ./configure gnu -amberlib and got the below error:
>>>>>>>>
>>>>>>>> C++ compiler (CXX) set to x86_64-apple-darwin13.4.0-clang++
>>>>>>>> C compiler (CC) set to x86_64-apple-darwin13.4.0-clang
>>>>>>>> Fortran compiler (FC) set to
>>>>>>>> /opt/anaconda3/envs/AmberTools20/bin/x86_64-apple-darwin13.4.0-gfortran
>>>>>>>>
>>>>>>>> Testing C++ compiler: OK
>>>>>>>> Testing C compiler: OK
>>>>>>>> Testing Fortran compiler: OK
>>>>>>>> Testing basic C++11 support: OK
>>>>>>>> Testing system headers for C++11 support: OK
>>>>>>>> Using blas from /opt/anaconda3/envs/AmberTools20
>>>>>>>> Using lapack from /opt/anaconda3/envs/AmberTools20
>>>>>>>> Using netcdf from /opt/anaconda3/envs/AmberTools20
>>>>>>>> Warning: Cannot link 'lapack' statically.
>>>>>>>> Warning: Cannot link 'blas' statically.
>>>>>>>> Checking BZLIB: OK
>>>>>>>> Checking ZLIB: OK
>>>>>>>> Checking NetCDF: Failed.
>>>>>>>> Error: NetCDF build/link failed:
>>>>>>>> x86_64-apple-darwin13.4.0-clang++ -Wall -O3 -march=core2
>>>>>>>> -mtune=haswell -mssse3 -ftree-vectorize -fPIC -fPIE
>>>>>>>> -fstack-protector-strong -O2 -pipe -stdlib=libc++
>>>>>>>> -fvisibility-inlines-hidden -std=c++14 -fmessage-length=0 -isystem
>>>>>>>> /opt/anaconda3/envs/AmberTools20/include -std=gnu++11 -
>>>>>>>> I/opt/anaconda3/envs/AmberTools20/include -o testp testp.cpp
>>>>>>>> /opt/anaconda3/envs/AmberTools20/lib/libnetcdf.a
>>>>>>>> -L/usr/local/opt/lapack/lib
>>>>>>>> Error: Error message follows:
>>>>>>>> Error: Undefined symbols for architecture x86_64:
>>>>>>>>
>>>>>>>> I tried ./configure gnu and got the below error:
>>>>>>>>
>>>>>>>> C++ compiler (CXX) set to x86_64-apple-darwin13.4.0-clang++
>>>>>>>> C compiler (CC) set to x86_64-apple-darwin13.4.0-clang
>>>>>>>> Fortran compiler (FC) set to
>>>>>>>> /opt/anaconda3/envs/AmberTools20/bin/x86_64-apple-darwin13.4.0-gfortran
>>>>>>>>
>>>>>>>> Testing C++ compiler: OK
>>>>>>>> Testing C compiler: OK
>>>>>>>> Testing Fortran compiler: OK
>>>>>>>> Testing basic C++11 support: OK
>>>>>>>> Testing system headers for C++11 support: OK
>>>>>>>> Checking BZLIB: OK
>>>>>>>> Checking ZLIB: OK
>>>>>>>> Checking NetCDF: Checking for bundled NetCDF: OK
>>>>>>>> Checking LAPACK/BLAS: Checking for bundled LAPACK/BLAS: Should
>>>>>>>> CPPTRAJ attempt to build its own lapack? {y|n}: y
>>>>>>>> Configuring lapack... (using generated make.inc) Success.
>>>>>>>> ./get_library.sh: line 183: nproc: command not found
>>>>>>>> MAKE_COMMAND is not set; set to 'make -j6'
>>>>>>>> Compiling lapack (may be time-consuming)... Build failed.
>>>>>>>> Check
>>>>>>>> /Users/matthewguberman-pfeffer/PersonalDIR/Desktop/Programs/cpptraj/lapack_compile.log
>>>>>>>> for errors.
>>>>>>>> Error: Building LAPACK/BLAS failed.
>>>>>>>>
>>>>>>>> Best,
>>>>>>>> Matthew
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>>> On Mar 30, 2022, at 3:27 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>>>>>>>>>
>>>>>>>>> *Message sent from a system outside of UConn.*
>>>>>>>>>
>>>>>>>>>
>>>>>>>>> Hi,
>>>>>>>>>
>>>>>>>>> I recently added this feature to GitHub cpptraj (version 6.4.5). Let
>>>>>>>>> me know if it works for you if you get a chance to try it. More
>>>>>>>>> details here:
>>>>>>>> https://nam10.safelinks.protection.outlook.com/?url=https%3A%2F%2Fgithub.com%2FAmber-MD%2Fcpptraj%2Fpull%2F960&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=s7aDozCINDjH34zYTbD0RRBAdZ5ztl0kv71tkQwhf64%3D&reserved=0
>>>>>>>>>
>>>>>>>>> -Dan
>>>>>>>>>
>>>>>>>>> On Wed, Mar 16, 2022 at 9:45 AM Matthew Guberman-Pfeffer
>>>>>>>>> <matthew.guberman-pfeffer.uconn.edu> wrote:
>>>>>>>>>>
>>>>>>>>>> Dear Amber Community,
>>>>>>>>>>
>>>>>>>>>> I need to quantify the total number of H-bonds for each pair of
>>>>>>>> residues in my protein. That would mean a 1321 x 1321 matrix. I am having
>>>>>>>> trouble in writing a bash script to process the CPPTRAJ hbond output (e.g.
>>>>>>>> All.UU.avg.dat) to compute each matrix element. I’ve thought of running
>>>>>>>> CPPTRAJ for every possible pair of donormask and acceptormask, but this is
>>>>>>>> truly an ugly brute-force approach. Does anyone have suggestions on how I
>>>>>>>> can compute the total number of H-bonds between each pair of residues?
>>>>>>>>>>
>>>>>>>>>> Best,
>>>>>>>>>> Matthew
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> _______________________________________________
>>>>>>>>>> AMBER mailing list
>>>>>>>>>> AMBER.ambermd.org
>>>>>>>>>>
>>>>>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>>>>>>>
>>>>>>>>> _______________________________________________
>>>>>>>>> AMBER mailing list
>>>>>>>>> AMBER.ambermd.org
>>>>>>>>>
>>>>>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>>>>>>
>>>>>>>> _______________________________________________
>>>>>>>> AMBER mailing list
>>>>>>>> AMBER.ambermd.org
>>>>>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>>>>>>
>>>>>>> _______________________________________________
>>>>>>> AMBER mailing list
>>>>>>> AMBER.ambermd.org
>>>>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>>>>
>>>>>> _______________________________________________
>>>>>> AMBER mailing list
>>>>>> AMBER.ambermd.org
>>>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>>>
>>>>> _______________________________________________
>>>>> AMBER mailing list
>>>>> AMBER.ambermd.org
>>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>>
>>>> _______________________________________________
>>>> AMBER mailing list
>>>> AMBER.ambermd.org
>>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>>
>>> _______________________________________________
>>> AMBER mailing list
>>> AMBER.ambermd.org
>>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://nam10.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=04%7C01%7C%7C7d9c1e530f7d419d242c08da12ab8c1f%7C17f1a87e2a254eaab9df9d439034b080%7C0%7C0%7C637842825247291682%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=oLPiIKvXMofZxp5p%2B%2FJ9uYGsL0kmtvQeVxfJUUQ1lV8%3D&reserved=0
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 30 2022 - 17:30:03 PDT
